molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3905758 |
|
IC50 |
= |
0.05 |
nM |
549.69 |
CN1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)n2)CC1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3950012 |
OBDepict
CH
3
O
NH
N
N
N
N
H
3
C
CH
3
N
N
CH
3
N
N
H
3
C
|
IC50 |
= |
0.05 |
nM |
589.75 |
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3928243 |
OBDepict
H
3
C
N
N
N
CH
3
N
N
N
NH
N
N
N
|
IC50 |
= |
0.08 |
nM |
548.7 |
Cn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(CCCN6CCCC6)n5)nc3-4)c2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3955626 |
OBDepict
OH
N
N
O
HN
CH
3
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.08 |
nM |
591.72 |
COc1cc(N2CCN(CCO)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3969930 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.09 |
nM |
591.77 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCC(N(C)C)CC5)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3896205 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
N
N
CH
3
|
IC50 |
= |
0.09 |
nM |
563.71 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCN(C)CC5)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3979509 |
OBDepict
CH
3
N
N
O
HN
H
3
C
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.09 |
nM |
575.72 |
CCN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)c(OC)c2)CC1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3893323 |
OBDepict
CH
3
N
N
HN
N
N
N
N
H
3
C
N
N
N
N
H
|
IC50 |
= |
0.1 |
nM |
549.69 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCNCC5)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3985408 |
OBDepict
H
3
C
O
N
N
N
N
HN
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.1 |
nM |
593.74 |
COCCN1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)n2)CC1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3892425 |
OBDepict
O
N
H
3
C
H
3
C
N
N
N
H
N
N
N
N
H
3
C
N
N
H
3
C
|
IC50 |
= |
0.1 |
nM |
508.59 |
CN(C)C(=O)Cn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3916799 |
OBDepict
H
3
C
O
N
N
N
H
3
C
N
N
N
HN
N
N
H
3
C
|
IC50 |
= |
0.1 |
nM |
509.62 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(CCOC)c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3823268 |
OBDepict
H
3
C
O
N
H
P
O
H
3
C
CH
3
N
N
N
H
Cl
O
NH
2
|
IC50 |
= |
0.11 |
nM |
445.85 |
COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1 |
Homo sapiens |
CHEMBL3824710 |
single protein format |
CHEMBL3961098 |
OBDepict
H
3
C
O
N
H
N
N
N
CH
3
N
N
N
NH
N
N
H
3
C
|
IC50 |
= |
0.11 |
nM |
538.66 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCNCCOC)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3986353 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
N
|
IC50 |
= |
0.11 |
nM |
534.67 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCCC5)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3921486 |
OBDepict
H
3
C
N
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
CH
3
CH
3
|
IC50 |
= |
0.12 |
nM |
522.66 |
CC(C)n1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3907737 |
OBDepict
HO
N
N
N
N
N
CH
3
N
N
N
NH
N
N
H
3
C
|
IC50 |
= |
0.13 |
nM |
593.74 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCN(CCO)CC5)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3965426 |
OBDepict
CH
3
N
N
HN
N
N
N
N
H
3
C
N
N
N
CH
3
H
3
C
|
IC50 |
= |
0.13 |
nM |
508.63 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN(C)C)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3947924 |
OBDepict
CH
3
O
NH
N
H
O
N
N
N
N
N
H
3
C
CH
3
CH
3
N
N
CH
3
|
IC50 |
= |
0.13 |
nM |
591.72 |
COc1cc(C(=O)NCCCN(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3942607 |
OBDepict
CH
3
O
HN
N
H
O
N
N
N
CH
3
CH
3
N
N
H
3
C
N
N
H
3
C
|
IC50 |
= |
0.13 |
nM |
577.69 |
COc1cc(C(=O)NCCN(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3911964 |
OBDepict
CH
3
O
N
N
N
H
3
C
N
N
N
HN
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.13 |
nM |
538.66 |
COCCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3976534 |
OBDepict
CH
3
O
HN
HN
O
N
N
CH
3
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.15 |
nM |
534.62 |
CNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)c(OC)c1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3952388 |
OBDepict
CH
3
O
NH
N
O
N
N
CH
3
N
CH
3
H
3
C
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.15 |
nM |
591.72 |
COc1cc(C(=O)N(C)CCN(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3920050 |
OBDepict
H
3
C
N
N
N
CH
3
N
N
N
NH
N
N
N
H
3
C
H
3
C
|
IC50 |
= |
0.15 |
nM |
522.66 |
CCCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3977626 |
OBDepict
H
3
C
N
N
N
H
N
N
N
N
H
3
C
N
N
H
3
C
|
IC50 |
= |
0.16 |
nM |
451.54 |
CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3969767 |
OBDepict
HO
N
N
N
CH
3
N
N
N
NH
N
N
H
3
C
|
IC50 |
= |
0.16 |
nM |
481.56 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCO)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3891732 |
OBDepict
H
3
C
N
CH
3
N
N
NH
N
N
N
N
CH
3
N
N
H
3
C
|
IC50 |
= |
0.16 |
nM |
508.63 |
CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3928015 |
OBDepict
CH
3
O
N
N
N
HN
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.16 |
nM |
564.7 |
COCCN1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)cn2)CC1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3967200 |
OBDepict
OH
N
N
HN
N
N
N
N
H
3
C
N
N
H
3
C
|
IC50 |
= |
0.16 |
nM |
481.56 |
Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCCO)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3906800 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
N
H
|
IC50 |
= |
0.16 |
nM |
520.65 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C5CCNCC5)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3985256 |
OBDepict
CH
3
O
NH
N
O
N
N
N
H
3
C
N
N
CH
3
N
N
H
3
C
|
IC50 |
= |
0.16 |
nM |
589.7 |
COc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3962155 |
OBDepict
H
3
C
N
N
N
CH
3
N
N
N
NH
N
N
N
O
|
IC50 |
= |
0.17 |
nM |
536.64 |
Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN6CCOCC6)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3985755 |
OBDepict
CH
3
O
HN
HN
O
N
N
N
CH
3
CH
3
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.17 |
nM |
591.72 |
COc1cc(C(=O)NCCN(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1cccc(-c3cnn(C)c3)c1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3930224 |
OBDepict
H
3
C
N
N
N
N
NH
N
N
N
N
CH
3
N
N
H
3
C
|
IC50 |
= |
0.17 |
nM |
563.71 |
CN1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3cccc(-c5cnn(C)c5)c3)CC4)n2)CC1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3982422 |
OBDepict
H
3
C
N
O
N
N
NH
N
N
N
N
CH
3
N
N
H
3
C
CH
3
|
IC50 |
= |
0.17 |
nM |
576.71 |
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C(C)C)c5)cc3)CC4)cn2)CC1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3959576 |
OBDepict
CH
3
O
NH
N
O
N
N
H
3
C
CH
3
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.17 |
nM |
534.62 |
COc1cc(C(=O)N(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3652826 |
OBDepict
H
3
C
O
N
H
O
N
N
N
N
N
CH
3
Cl
|
IC50 |
= |
0.18 |
nM |
531.06 |
COc1cc(OCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3956581 |
OBDepict
H
3
C
N
H
O
O
NH
CH
3
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.18 |
nM |
520.6 |
CNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)c(OC)c1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3904495 |
OBDepict
CH
3
N
N
N
H
3
C
N
N
N
HN
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.18 |
nM |
508.63 |
CCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3656563 |
OBDepict
CH
3
O
N
H
N
N
N
N
CH
3
CH
3
N
N
H
3
C
Cl
|
IC50 |
= |
0.19 |
nM |
530.08 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2C |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3656576 |
OBDepict
H
3
C
O
N
H
N
N
N
N
CH
3
N
N
H
3
C
Cl
|
IC50 |
= |
0.19 |
nM |
516.05 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3983444 |
OBDepict
H
3
C
O
N
H
N
H
O
N
N
N
H
3
C
N
N
CH
3
N
N
H
3
C
|
IC50 |
= |
0.19 |
nM |
575.68 |
COc1cc(C(=O)NC2CN(C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3911240 |
OBDepict
H
3
C
O
N
N
NH
N
N
N
N
CH
3
N
N
H
3
C
CH
3
|
IC50 |
= |
0.19 |
nM |
509.62 |
COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C(C)C)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3912872 |
OBDepict
HO
N
N
N
CH
3
N
N
N
NH
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.2 |
nM |
524.63 |
CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCO)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL463931 |
OBDepict
CH
3
O
N
H
N
CH
3
H
3
C
N
N
O
HN
N
N
H
CH
3
CH
3
S
O
H
2
N
|
IC50 |
= |
0.2 |
nM |
548.67 |
COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CCC2(C)C |
Homo sapiens |
CHEMBL1025722 |
single protein format |
CHEMBL3952080 |
OBDepict
CH
3
O
NH
N
N
N
N
H
3
C
N
N
CH
3
N
N
H
3
C
|
IC50 |
= |
0.2 |
nM |
561.69 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3656637 |
OBDepict
CH
3
O
N
N
N
H
N
N
N
N
H
3
C
Cl
|
IC50 |
= |
0.2 |
nM |
435.92 |
COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(Cl)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3656635 |
OBDepict
H
3
C
N
O
N
N
NH
N
N
N
N
CH
3
S
Cl
|
IC50 |
= |
0.2 |
nM |
509.04 |
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3sccc3Cl)CC4)cn2)CC1 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3939222 |
OBDepict
H
3
C
N
N
N
CH
3
N
N
N
NH
N
N
N
O
|
IC50 |
= |
0.21 |
nM |
550.67 |
Cn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(CCN6CCOCC6)n5)nc3-4)c2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3962418 |
OBDepict
CH
3
N
O
N
N
HN
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.21 |
nM |
548.66 |
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)cn2)CC1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3893469 |
OBDepict
H
3
C
N
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
CH
3
CH
3
|
IC50 |
= |
0.21 |
nM |
522.66 |
CC(C)n1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(CCN(C)C)c5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3920449 |
OBDepict
CH
3
N
N
HN
N
N
N
N
H
3
C
N
N
N
O
CH
3
H
3
C
|
IC50 |
= |
0.21 |
nM |
522.62 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CC(=O)N(C)C)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3943015 |
OBDepict
H
3
C
S
O
O
N
N
N
H
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.22 |
nM |
557.68 |
CCS(=O)(=O)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3943667 |
OBDepict
CH
3
O
N
N
N
CH
3
N
N
N
NH
N
N
H
3
C
|
IC50 |
= |
0.22 |
nM |
495.59 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCOC)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3969265 |
OBDepict
H
3
C
O
N
CH
3
O
O
NH
CH
3
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.22 |
nM |
578.68 |
COCCN(C)C(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)c(OC)c1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3924709 |
OBDepict
H
3
C
O
HN
N
O
N
N
O
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.22 |
nM |
576.66 |
COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3979595 |
OBDepict
H
3
C
N
N
N
CH
3
N
N
N
NH
N
N
N
S
O
O
CH
3
|
IC50 |
= |
0.23 |
nM |
584.71 |
Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(C6CCN(S(C)(=O)=O)CC6)c5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3926795 |
OBDepict
H
3
C
N
N
N
CH
3
N
N
N
NH
N
N
N
N
|
IC50 |
= |
0.23 |
nM |
545.66 |
Cn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(CCCn6ccnc6)n5)nc3-4)c2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3905880 |
OBDepict
CH
3
N
N
HN
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.23 |
nM |
451.54 |
Cn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3981473 |
OBDepict
HO
N
N
NH
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.23 |
nM |
467.54 |
Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCO)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3953426 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
H
3
C
|
IC50 |
= |
0.24 |
nM |
465.57 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3962491 |
OBDepict
H
3
C
N
CH
3
H
N
O
N
N
N
H
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.24 |
nM |
577.7 |
CN(C)[C@H]1CCN(C(=O)Cn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)n2)C1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3901431 |
OBDepict
CH
3
O
N
N
N
H
3
C
N
N
N
HN
N
N
O
CH
3
|
IC50 |
= |
0.25 |
nM |
525.62 |
COCCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCOC)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3979113 |
OBDepict
CH
3
O
N
N
N
H
3
C
N
N
N
HN
N
N
N
CH
3
CH
3
|
IC50 |
= |
0.25 |
nM |
552.69 |
COCCCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3902316 |
OBDepict
CH
3
O
N
CH
3
N
N
N
H
3
C
N
N
N
HN
N
N
CH
3
|
IC50 |
= |
0.25 |
nM |
552.69 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN(C)CCOC)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3661006 |
OBDepict
H
3
C
O
N
H
N
N
N
N
CH
3
H
3
C
N
N
H
3
C
|
IC50 |
= |
0.26 |
nM |
537.71 |
CCOc1cc(N2CCN(C(C)C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3917016 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.26 |
nM |
437.51 |
Cn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3900113 |
OBDepict
CH
3
O
NH
N
H
O
N
N
CH
3
H
3
C
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.26 |
nM |
548.65 |
COc1cc(C(=O)NC(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3965342 |
OBDepict
H
3
C
N
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.26 |
nM |
494.61 |
CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3937320 |
OBDepict
CH
3
N
CH
3
N
N
HN
N
N
N
N
H
3
C
N
N
N
O
CH
3
H
3
C
|
IC50 |
= |
0.27 |
nM |
565.69 |
CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CC(=O)N(C)C)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3913210 |
OBDepict
CH
3
N
N
N
CH
3
N
N
N
N
H
N
N
CH
3
CH
3
|
IC50 |
= |
0.27 |
nM |
451.54 |
Cc1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)nn1C |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3938222 |
OBDepict
H
3
C
O
N
N
N
H
N
N
N
N
CH
3
N
N
H
3
C
CH
3
|
IC50 |
= |
0.28 |
nM |
509.62 |
COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C(C)C)c4)cc2)CC3)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3937351 |
OBDepict
H
3
C
N
N
N
CH
3
N
N
N
NH
N
N
N
|
IC50 |
= |
0.28 |
nM |
514.6 |
Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(Cc6ccncc6)c5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3950079 |
OBDepict
H
3
C
O
N
N
N
CH
3
N
N
N
NH
N
N
H
3
C
|
IC50 |
= |
0.28 |
nM |
509.62 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCCOC)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3656608 |
OBDepict
CH
3
O
N
H
N
N
N
N
CH
3
N
N
H
3
C
Cl
O
H
3
C
|
IC50 |
= |
0.3 |
nM |
546.08 |
COc1ccc(-c2c3c(nn2C)CCc2cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc2-3)c(Cl)c1 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3660996 |
OBDepict
CH
3
O
N
H
HN
O
N
N
N
N
N
CH
3
CH
3
S
Cl
|
IC50 |
= |
0.3 |
nM |
564.12 |
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1sccc1Cl)CC2 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL476259 |
OBDepict
CH
3
N
O
HN
H
3
C
N
N
N
H
N
H
F
O
H
2
N
|
IC50 |
= |
0.3 |
nM |
517.61 |
CCCN1CCC(c2ccc(Nc3nc(Nc4cc(F)ccc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)CC1 |
Homo sapiens |
CHEMBL955911 |
cell-based format |
CHEMBL458414 |
OBDepict
CH
3
O
N
H
N
N
N
O
HN
N
N
H
CH
3
CH
3
O
O
H
2
N
|
IC50 |
= |
0.3 |
nM |
504.55 |
COc1cc2c(cc1Nc1nc(Nc3ccoc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CCC2 |
Homo sapiens |
CHEMBL1025722 |
single protein format |
CHEMBL3902464 |
OBDepict
H
3
C
N
H
3
C
N
H
O
N
N
NH
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.3 |
nM |
565.69 |
CN(C)CCCNC(=O)Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3656638 |
OBDepict
CH
3
N
N
N
H
N
N
N
N
H
3
C
S
CH
3
|
IC50 |
= |
0.3 |
nM |
391.5 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2C)CC3)n1 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3639555 |
OBDepict
CH
3
N
N
N
H
N
N
N
N
H
3
C
S
Cl
|
IC50 |
= |
0.3 |
nM |
397.9 |
Cn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)cn1 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL514873 |
OBDepict
CH
3
O
N
H
N
N
N
O
NH
N
N
H
H
3
C
CH
3
S
O
H
2
N
|
IC50 |
= |
0.3 |
nM |
506.59 |
COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2 |
Homo sapiens |
CHEMBL1025722 |
single protein format |
CHEMBL3922742 |
OBDepict
H
3
C
O
N
N
N
CH
3
N
N
N
NH
N
N
H
3
C
|
IC50 |
= |
0.31 |
nM |
495.59 |
COCCn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(C)n5)nc3-4)c2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3963245 |
OBDepict
CH
3
H
3
C
N
N
N
CH
3
N
N
N
NH
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.31 |
nM |
536.69 |
CC(C)Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN(C)C)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3946047 |
OBDepict
CH
3
N
N
HN
N
N
N
N
H
3
C
N
N
N
O
|
IC50 |
= |
0.31 |
nM |
550.67 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCOCC5)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3913675 |
OBDepict
CH
3
N
N
N
N
CH
3
N
N
N
N
H
N
N
CH
3
CH
3
|
IC50 |
= |
0.31 |
nM |
466.55 |
CC(C)n1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)nc2)CC3)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3661005 |
OBDepict
CH
3
O
N
H
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.31 |
nM |
509.66 |
CCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 |
Homo sapiens |
CHEMBL3705323 |
single protein format |
CHEMBL3941008 |
OBDepict
CH
3
N
N
HN
N
N
N
N
H
3
C
Cl
N
N
H
3
C
|
IC50 |
= |
0.31 |
nM |
485.98 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2Cl)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3900377 |
OBDepict
CH
3
N
N
N
H
3
C
N
N
N
HN
N
N
CH
3
|
IC50 |
= |
0.31 |
nM |
493.62 |
CCCn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(CC)n5)nc3-4)c2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3966970 |
OBDepict
CH
3
N
N
N
H
N
N
N
N
CH
3
N
N
O
|
IC50 |
= |
0.32 |
nM |
521.63 |
Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C5CCOCC5)c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3915025 |
OBDepict
CH
3
N
N
N
H
3
C
N
N
N
HN
N
N
N
O
|
IC50 |
= |
0.33 |
nM |
534.63 |
Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CC(=O)N6CCCC6)n5)nc3-4)cc2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3975858 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
H
3
C
CH
3
|
IC50 |
= |
0.35 |
nM |
479.59 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C(C)C)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3891342 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
H
3
C
CH
3
|
IC50 |
= |
0.35 |
nM |
507.65 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(CC(C)C)c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3948924 |
OBDepict
CH
3
O
N
N
HN
N
N
N
N
H
3
C
N
N
N
O
H
CH
3
|
IC50 |
= |
0.35 |
nM |
594.72 |
COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCO[C@@H](C)C5)c4)cc2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3922256 |
OBDepict
CH
3
N
H
3
C
N
N
N
H
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.35 |
nM |
494.61 |
CN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3936471 |
OBDepict
H
3
C
O
N
N
NH
N
N
N
N
CH
3
N
N
H
3
C
|
IC50 |
= |
0.36 |
nM |
495.59 |
COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3914262 |
OBDepict
H
3
C
N
N
N
H
3
C
N
N
N
HN
N
N
CH
3
|
IC50 |
= |
0.36 |
nM |
451.54 |
Cn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(C)n5)nc3-4)c2)cn1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3931181 |
OBDepict
H
3
C
N
N
NH
N
N
N
N
CH
3
N
N
H
|
IC50 |
= |
0.37 |
nM |
451.54 |
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cn[nH]c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3968669 |
OBDepict
CH
3
O
HN
O
O
HN
CH
3
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.37 |
nM |
578.68 |
COCCNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)c(OC)c1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3912328 |
OBDepict
CH
3
O
N
N
HN
N
N
N
N
H
3
C
N
N
CH
3
|
IC50 |
= |
0.37 |
nM |
509.62 |
COCCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(-c4cnn(C)c4)c2)CC3)n1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |
CHEMBL3940235 |
OBDepict
H
3
C
N
H
O
O
NH
CH
3
N
N
N
N
CH
3
N
N
CH
3
|
IC50 |
= |
0.37 |
nM |
534.62 |
CCNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)c(OC)c1 |
Homo sapiens |
CHEMBL3887328 |
single protein format |