molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3115315 |
|
IC50 |
= |
0.0 |
nM |
300.34 |
N#Cc1cnc(-c2nc(CC(=O)N3CCC3)cs2)c(O)c1 |
Homo sapiens |
CHEMBL3118411 |
cell-based format |
CHEMBL3115282 |
OBDepict
N
N
O
N
O
HO
NH
O
O
OH
|
IC50 |
= |
0.8 |
nM |
434.41 |
N#Cc1ccccc1Cn1c(=O)c(C(=O)NCC(=O)O)c(O)n(Cc2ccccc2)c1=O |
Homo sapiens |
CHEMBL3119781 |
assay format |
CHEMBL3115284 |
OBDepict
OH
O
HN
O
HO
O
N
N
Cl
CH
3
H
3
C
CH
3
|
IC50 |
= |
0.8 |
nM |
469.93 |
CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)NCC(=O)O)c2=O)cc1 |
Homo sapiens |
CHEMBL3119781 |
assay format |
CHEMBL2041190 |
OBDepict
OH
O
CH
3
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
0.8 |
nM |
562.63 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3cnccn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL3115283 |
OBDepict
OH
O
HN
O
OH
N
O
N
Cl
Cl
CH
3
CH
3
CH
3
|
IC50 |
= |
0.8 |
nM |
504.37 |
CC(C)(C)c1ccc(Cn2c(-c3c(Cl)cccc3Cl)nc(O)c(C(=O)NCC(=O)O)c2=O)cc1 |
Homo sapiens |
CHEMBL3119781 |
assay format |
CHEMBL3115294 |
OBDepict
CH
3
O
N
O
N
CH
3
O
S
N
H
H
3
C
S
N
H
O
Cl
|
IC50 |
= |
1.0 |
nM |
503.01 |
COc1ccc(-n2c(=S)[nH]c3sc(C(=O)NCc4ccc(Cl)cc4)c(C)c3c2=O)nc1OC |
Homo sapiens |
CHEMBL3119779 |
assay format |
CHEMBL3115295 |
OBDepict
CH
3
O
N
O
N
CH
3
O
O
N
S
H
N
H
O
O
O
|
IC50 |
= |
1.0 |
nM |
482.47 |
COc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCc4ccc5c(c4)OCO5)sc3c2=O)nc1OC |
Homo sapiens |
CHEMBL3119779 |
assay format |
CHEMBL4173371 |
OBDepict
CH
3
O
N
O
N
CH
3
O
O
N
S
H
N
H
O
Cl
|
IC50 |
= |
1.0 |
nM |
472.91 |
COc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)sc3c2=O)nc1OC |
Homo sapiens |
CHEMBL4149402 |
assay format |
CHEMBL3115296 |
OBDepict
CH
3
O
O
N
CH
3
N
O
N
O
H
N
HN
O
Cl
|
IC50 |
= |
1.0 |
nM |
467.87 |
COc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)ncc3c2=O)nc1OC |
Homo sapiens |
CHEMBL3119779 |
assay format |
CHEMBL3115289 |
OBDepict
HO
O
N
H
O
OH
N
|
IC50 |
= |
1.0 |
nM |
322.32 |
O=C(O)CNC(=O)c1c(O)ccc2cc(-c3ccccc3)cnc12 |
Homo sapiens |
CHEMBL3119779 |
assay format |
CHEMBL3115290 |
OBDepict
OH
O
HN
O
OH
N
N
N
|
IC50 |
= |
1.0 |
nM |
324.3 |
O=C(O)CNC(=O)c1c(O)c(-c2cccnc2)cc2nccnc12 |
Homo sapiens |
CHEMBL3119779 |
assay format |
CHEMBL3115291 |
OBDepict
O
NH
N
N
N
N
O
OH
|
IC50 |
= |
1.0 |
nM |
439.48 |
O=C(O)CNC(=O)c1c2ncn(Cc3ccccc3)c2cc2c1ncn2Cc1ccccc1 |
Homo sapiens |
CHEMBL3119779 |
assay format |
CHEMBL3115292 |
OBDepict
HO
O
N
H
O
HO
N
Br
N
|
IC50 |
= |
1.0 |
nM |
404.22 |
O=C(O)CNC(=O)c1c(O)c(Br)cc2c1ncn2Cc1ccccc1 |
Homo sapiens |
CHEMBL3119779 |
assay format |
CHEMBL3115293 |
OBDepict
CH
3
O
N
O
N
CH
3
O
S
N
S
H
N
H
O
Cl
|
IC50 |
= |
1.0 |
nM |
488.98 |
COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)sc3c2=O)nc1OC |
Homo sapiens |
CHEMBL3119779 |
assay format |
CHEMBL2041175 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
N
S
|
IC50 |
= |
1.6 |
nM |
577.67 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc4scnc4c3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041193 |
OBDepict
OH
O
CH
3
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
1.6 |
nM |
562.63 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3ccncn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043169 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
O
OH
|
IC50 |
= |
1.7 |
nM |
578.63 |
COc1cc(N2C(=O)N(c3ccc(-c4cccc(C(=O)O)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043325 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
1.9 |
nM |
592.66 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041185 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
H
3
C
O
OH
|
IC50 |
= |
2.0 |
nM |
592.66 |
COc1nccnc1N1C(=O)N(c2ccc(-c3ccc(C(=O)O)cc3C)cc2)C(=O)C12CCN(Cc1ncccc1C)CC2 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041010 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
S
H
3
C
O
OH
|
IC50 |
= |
2.0 |
nM |
584.66 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)s4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043168 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
O
HO
|
IC50 |
= |
2.1 |
nM |
578.63 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041192 |
OBDepict
OH
O
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
2.1 |
nM |
548.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1ccncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041188 |
OBDepict
OH
O
CH
3
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
2.9 |
nM |
562.63 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3ncccn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041182 |
OBDepict
H
3
C
N
N
N
O
N
O
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
3.2 |
nM |
576.66 |
Cc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043010 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
O
OH
N
CH
3
|
IC50 |
= |
3.5 |
nM |
578.63 |
COc1cc(N2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3C(=O)O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041169 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
N
H
N
|
IC50 |
= |
3.5 |
nM |
586.66 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(-c4ccn[nH]4)cc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043324 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
F
O
HO
|
IC50 |
= |
3.6 |
nM |
596.62 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4F)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041189 |
OBDepict
OH
O
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
4.8 |
nM |
548.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1cnccn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041186 |
OBDepict
OH
O
CH
3
N
O
N
O
N
CH
3
N
N
N
CH
3
|
IC50 |
= |
4.9 |
nM |
576.66 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3nccnc3C)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4451025 |
OBDepict
N
O
N
O
O
HO
NH
O
F
F
F
O
HO
|
IC50 |
= |
5.1 |
nM |
489.36 |
N#Cc1ccc(C2Cn3c(=O)c(C(=O)NCC(=O)O)c(O)c4cc(OC(F)(F)F)cc(c43)O2)cc1 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4163812 |
OBDepict
OH
O
HN
O
OH
N
O
N
O
|
IC50 |
= |
5.5 |
nM |
393.44 |
O=C(O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O |
Homo sapiens |
CHEMBL4149391 |
single protein format |
CHEMBL2043326 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
5.8 |
nM |
592.66 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)c(C)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4561977 |
OBDepict
HO
O
HN
O
OH
O
N
O
O
F
F
F
|
IC50 |
= |
5.8 |
nM |
428.32 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(OC(F)(F)F)cc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2040897 |
OBDepict
OH
N
N
N
O
N
O
N
N
S
CH
3
H
3
C
N
CH
3
|
IC50 |
= |
5.9 |
nM |
555.66 |
Cc1nc(C)c(-c2ccc(N3C(=O)N(c4cc(O)ncn4)C4(CCN(Cc5ncccc5C)CC4)C3=O)cc2)s1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4476576 |
OBDepict
HO
O
N
H
O
OH
O
N
O
N
N
|
IC50 |
= |
6.0 |
nM |
410.39 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccn(-c4ccccc4)n3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2041164 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
S
O
OH
|
IC50 |
= |
6.4 |
nM |
584.66 |
COc1cc(N2C(=O)N(c3ccc(-c4csc(C(=O)O)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4590677 |
OBDepict
HO
O
HN
O
OH
O
N
O
S
N
F
F
F
|
IC50 |
= |
6.4 |
nM |
419.34 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cnc(C(F)(F)F)s3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4462855 |
OBDepict
OH
O
NH
O
HO
O
N
O
Cl
|
IC50 |
= |
6.4 |
nM |
378.77 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(Cl)cc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4452218 |
OBDepict
OH
O
NH
O
OH
O
N
N
H
N
F
F
F
|
IC50 |
= |
6.6 |
nM |
448.36 |
O=C(O)CNC(=O)c1c(O)c2cccc3c2n(c1=O)CC(c1ccc(C(F)(F)F)nc1)N3 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4474474 |
OBDepict
OH
O
NH
O
HO
O
N
O
N
O
|
IC50 |
= |
6.6 |
nM |
385.33 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3nc4ccccc4o3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4462741 |
OBDepict
HO
O
HN
O
OH
O
N
O
F
F
F
|
IC50 |
= |
6.6 |
nM |
398.29 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cc(F)c(F)cc3F)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2043011 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
O
OH
|
IC50 |
= |
7.2 |
nM |
564.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041184 |
OBDepict
CH
3
N
N
N
O
N
O
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
7.7 |
nM |
576.66 |
Cc1nccc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)n1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4452138 |
OBDepict
OH
O
NH
O
HO
O
N
O
S
N
F
F
F
|
IC50 |
= |
7.8 |
nM |
419.34 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3nc(C(F)(F)F)cs3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4577928 |
OBDepict
HO
O
HN
O
OH
O
N
O
F
F
F
|
IC50 |
= |
8.2 |
nM |
412.32 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4529447 |
OBDepict
HO
O
HN
O
OH
O
N
O
F
F
|
IC50 |
= |
8.8 |
nM |
380.3 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(F)cc3F)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4552680 |
OBDepict
OH
O
NH
O
OH
O
N
O
N
F
F
F
|
IC50 |
= |
8.9 |
nM |
449.34 |
O=C(O)CNC(=O)c1c(O)c2cccc3c2n(c1=O)C(c1ccc(C(F)(F)F)nc1)CO3 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2041187 |
OBDepict
OH
O
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
10.0 |
nM |
548.6 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)O)cc3)cc1)C(=O)N2c1ncccn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043004 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
11.0 |
nM |
520.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043005 |
OBDepict
O
N
N
O
N
N
N
N
H
3
C
|
IC50 |
= |
11.0 |
nM |
504.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ncccn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4454844 |
OBDepict
OH
O
NH
O
OH
O
N
S
F
F
F
|
IC50 |
= |
13.0 |
nM |
464.42 |
O=C(O)CNC(=O)c1c(O)c2cccc3c2n(c1=O)CC(c1ccc(C(F)(F)F)cc1)S3 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4458708 |
OBDepict
HO
O
HN
O
OH
O
N
O
N
F
F
F
|
IC50 |
= |
13.0 |
nM |
413.31 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)nc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4567141 |
OBDepict
HO
O
HN
O
OH
O
N
O
N
N
F
F
F
|
IC50 |
= |
13.0 |
nM |
414.3 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cnc(C(F)(F)F)cn3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2041178 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
N
H
O
CH
3
|
IC50 |
= |
14.0 |
nM |
591.67 |
CNC(=O)c1ccc(-c2ccc(N3C(=O)N(c4cc(OC)ncn4)C4(CCN(Cc5ncccc5C)CC4)C3=O)cc2)cc1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4783524 |
OBDepict
H
3
C
O
N
H
O
O
N
OH
N
CH
3
N
N
|
IC50 |
= |
14.0 |
nM |
443.46 |
COc1ccc(C(NC(=O)c2cnc(-c3cccnn3)nc2O)c2ccc(OC)cc2)cc1 |
Homo sapiens |
CHEMBL4766454 |
cell-based format |
CHEMBL4162309 |
OBDepict
HO
O
N
H
O
HO
O
N
O
N
S
|
IC50 |
= |
14.0 |
nM |
415.43 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3nc4ccccc4s3)c1=O)CCOC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2041177 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
O
H
2
N
|
IC50 |
= |
15.0 |
nM |
577.65 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(N)=O)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4564341 |
OBDepict
OH
O
NH
O
HO
O
N
Cl
F
F
F
|
IC50 |
= |
16.0 |
nM |
454.79 |
O=C(O)CNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccc(C(F)(F)F)cc2)c1=O |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4483401 |
OBDepict
HO
O
HN
O
OH
O
N
O
OH
H
3
C
H
3
C
|
IC50 |
= |
16.0 |
nM |
402.4 |
CC(C)(O)c1ccc(Cn2c3c(c(O)c(C(=O)NCC(=O)O)c2=O)COC3)cc1 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2338326 |
OBDepict
OH
O
HN
O
N
OH
|
IC50 |
= |
17.0 |
nM |
322.32 |
O=C(O)CNC(=O)c1ncc(-c2ccc3ccccc3c2)cc1O |
Homo sapiens |
CHEMBL3118622 |
single protein format |
CHEMBL2041176 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
CH
3
N
|
IC50 |
= |
17.0 |
nM |
559.63 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C#N)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4573825 |
OBDepict
N
F
N
O
O
OH
HN
O
O
OH
|
IC50 |
= |
18.0 |
nM |
401.35 |
N#Cc1ccc(Cn2c3c(c(O)c(C(=O)NCC(=O)O)c2=O)COCC3)c(F)c1 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4582737 |
OBDepict
HO
O
HN
O
OH
O
N
O
N
N
F
F
F
|
IC50 |
= |
18.0 |
nM |
414.3 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cnc(C(F)(F)F)nc3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2043002 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
20.0 |
nM |
520.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1nccc(O)n1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041180 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
N
CH
3
O
HO
|
IC50 |
= |
20.0 |
nM |
579.62 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4)nc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL3115281 |
OBDepict
OH
O
NH
O
HO
O
N
F
Cl
|
IC50 |
= |
20.0 |
nM |
404.78 |
O=C(O)CNC(=O)c1c(O)c2ccc(F)cc2n(Cc2ccccc2Cl)c1=O |
Homo sapiens |
CHEMBL3119781 |
assay format |
CHEMBL2041167 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
N
N
HO
|
IC50 |
= |
21.0 |
nM |
538.57 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3cnc(O)nc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4473810 |
OBDepict
CH
3
O
N
O
O
HN
O
HO
O
OH
|
IC50 |
= |
21.0 |
nM |
410.38 |
COc1ccc(C2COc3cccc4c(O)c(C(=O)NCC(=O)O)c(=O)n2c34)cc1 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2041194 |
OBDepict
OH
O
CH
3
N
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
22.0 |
nM |
563.62 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3ccncn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4516521 |
OBDepict
HO
O
HN
O
OH
O
N
O
N
N
F
F
F
|
IC50 |
= |
22.0 |
nM |
414.3 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ncc(C(F)(F)F)cn3)c1=O)COC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2041174 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
N
N
H
|
IC50 |
= |
24.0 |
nM |
574.65 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc5nc[nH]c5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2040854 |
OBDepict
OH
N
N
N
O
N
O
N
N
N
CH
3
H
3
C
O
OH
|
IC50 |
= |
26.0 |
nM |
579.62 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3cc(O)ncn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4471891 |
OBDepict
OH
O
NH
O
HO
O
N
O
Cl
|
IC50 |
= |
33.0 |
nM |
392.8 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(Cl)cc3)c1=O)CCOC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2041181 |
OBDepict
H
3
C
O
N
N
N
O
N
O
N
N
N
CH
3
CH
3
O
HO
|
IC50 |
= |
36.0 |
nM |
593.64 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)nc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041165 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
O
O
OH
|
IC50 |
= |
38.0 |
nM |
568.59 |
COc1cc(N2C(=O)N(c3ccc(-c4coc(C(=O)O)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4469994 |
OBDepict
OH
O
NH
O
HO
O
N
O
F
F
F
|
IC50 |
= |
40.0 |
nM |
426.35 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)COCC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL4461978 |
OBDepict
OH
O
NH
O
HO
O
N
O
N
F
F
F
|
IC50 |
= |
41.0 |
nM |
427.34 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)nc3)c1=O)CCOC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2041191 |
OBDepict
OH
O
CH
3
N
N
O
N
O
N
N
N
N
CH
3
|
IC50 |
= |
43.0 |
nM |
563.62 |
Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3cnccn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043007 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
44.0 |
nM |
520.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ccnc(O)n1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041173 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
N
N
H
|
IC50 |
= |
47.0 |
nM |
574.65 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc5[nH]ncc5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041172 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
N
H
N
|
IC50 |
= |
48.0 |
nM |
574.65 |
COc1cc(N2C(=O)N(c3ccc(-c4ccc5cn[nH]c5c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4582939 |
OBDepict
OH
O
NH
O
HO
O
N
O
F
F
F
|
IC50 |
= |
51.0 |
nM |
426.35 |
O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)CCOC2 |
Homo sapiens |
CHEMBL4329855 |
cell-based format |
CHEMBL2043008 |
OBDepict
OH
N
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
59.0 |
nM |
520.59 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ccc(O)nn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043328 |
OBDepict
O
N
N
O
N
N
OH
N
N
O
N
CH
3
|
IC50 |
= |
61.0 |
nM |
513.56 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(N3CCC3=O)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2041166 |
OBDepict
O
N
N
O
N
N
OH
N
N
N
N
H
3
C
|
IC50 |
= |
61.0 |
nM |
522.57 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2040896 |
OBDepict
OH
N
N
N
O
N
O
N
N
O
CH
3
N
|
IC50 |
= |
76.0 |
nM |
511.54 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccno3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL3646220 |
OBDepict
OH
O
HN
O
N
OH
Cl
|
IC50 |
= |
83.0 |
nM |
306.71 |
O=C(O)CNC(=O)c1ncc(-c2ccc(Cl)cc2)cc1O |
Homo sapiens |
CHEMBL3707537 |
single protein format |
CHEMBL2043170 |
OBDepict
CH
3
O
N
N
N
O
N
O
N
N
H
3
C
O
OH
|
IC50 |
= |
95.0 |
nM |
578.63 |
COc1cc(N2C(=O)N(c3ccc(-c4ccccc4C(=O)O)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043006 |
OBDepict
OH
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
97.0 |
nM |
519.61 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cc(O)ccn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL2043003 |
OBDepict
OH
N
N
O
N
O
N
N
CH
3
|
IC50 |
= |
97.0 |
nM |
519.61 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cccc(O)n1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4874677 |
OBDepict
N
N
OH
N
N
O
CH
3
|
IC50 |
< |
100.0 |
nM |
304.31 |
CC(=O)c1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1 |
Homo sapiens |
CHEMBL4831471 |
single protein format |
CHEMBL4862940 |
OBDepict
N
N
HO
N
N
N
O
|
IC50 |
< |
100.0 |
nM |
345.36 |
N#Cc1ccc(-c2cnn(-c3ccc(N4CCCC4=O)cn3)c2O)cc1 |
Homo sapiens |
CHEMBL4831471 |
single protein format |
CHEMBL4853087 |
OBDepict
N
N
HO
N
N
N
S
|
IC50 |
< |
100.0 |
nM |
345.39 |
N#Cc1ccc(-c2cnn(-c3ccc(-c4nccs4)cn3)c2O)cc1 |
Homo sapiens |
CHEMBL4831471 |
single protein format |
CHEMBL4867184 |
OBDepict
N
N
OH
N
N
S
O
O
CH
3
|
IC50 |
< |
100.0 |
nM |
340.36 |
CS(=O)(=O)c1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1 |
Homo sapiens |
CHEMBL4831471 |
single protein format |
CHEMBL4879249 |
OBDepict
N
N
HO
N
N
NH
S
O
O
H
3
C
|
IC50 |
< |
100.0 |
nM |
369.41 |
CCS(=O)(=O)Nc1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1 |
Homo sapiens |
CHEMBL4831471 |
single protein format |
CHEMBL4858351 |
OBDepict
CH
3
NH
O
N
N
N
HO
N
|
IC50 |
< |
100.0 |
nM |
333.35 |
CCC(=O)Nc1ccc(-n2ncc(-c3ccc(C#N)cc3)c2O)nc1 |
Homo sapiens |
CHEMBL4831471 |
single protein format |
CHEMBL2043327 |
OBDepict
O
N
N
O
N
N
OH
N
N
H
3
C
|
IC50 |
= |
120.0 |
nM |
526.64 |
Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(C3CCCCC3)cc1)C(=O)N2c1cc(O)ncn1 |
Homo sapiens |
CHEMBL2045988 |
single protein format |
CHEMBL4170656 |
OBDepict
CH
3
N
N
OH
N
N
N
N
O
HO
|
IC50 |
= |
180.0 |
nM |
428.45 |
CCc1ccc2cc(CCn3ncc4nc(-n5cc(C(=O)O)cn5)nc(O)c43)ccc2c1 |
Homo sapiens |
CHEMBL4149391 |
single protein format |
CHEMBL3646215 |
OBDepict
HO
O
NH
O
N
OH
CH
3
|
IC50 |
= |
180.0 |
nM |
286.29 |
Cc1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1 |
Homo sapiens |
CHEMBL3707755 |
single protein format |
CHEMBL4482885 |
OBDepict
O
N
H
N
O
N
N
N
H
3
C
|
IC50 |
= |
219.0 |
nM |
415.5 |
Cn1ccnc1CN1CCC2(CC1)NC(=O)N(c1ccc(-c3ccccc3)cc1)C2=O |
Homo sapiens |
CHEMBL4480650 |
single protein format |