molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4870179 |
|
IC50 |
= |
0.12 |
nM |
374.35 |
COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F |
Homo sapiens |
CHEMBL4810137 |
single protein format |
CHEMBL4862823 |
OBDepict
CH
3
O
F
O
N
CH
3
Cl
O
N
H
3
C
N
N
H
|
IC50 |
= |
0.17 |
nM |
390.8 |
COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F |
Homo sapiens |
CHEMBL4810137 |
single protein format |
CHEMBL4557949 |
OBDepict
H
3
C
O
Cl
O
H
3
C
Cl
N
N
H
N
N
H
O
N
N
|
IC50 |
= |
0.2 |
nM |
581.5 |
COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C6CCC6)CC5)cc4)n[nH]c3n2)c1Cl |
Homo sapiens |
CHEMBL4426404 |
single protein format |
CHEMBL3827818 |
OBDepict
CH
3
O
Cl
Cl
N
N
N
H
N
N
H
N
O
|
IC50 |
= |
0.2 |
nM |
509.4 |
CC(Oc1ccc2[nH]nc(-c3nc4cc(N5CCOCC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL3827492 |
OBDepict
H
3
C
N
H
3
C
N
H
N
N
H
N
N
H
O
CH
3
Cl
Cl
N
|
IC50 |
= |
0.3 |
nM |
510.43 |
CC(Oc1ccc2[nH]nc(-c3nc4cc(NCCN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL4438578 |
OBDepict
CH
3
O
S
H
3
C
N
H
2
N
N
N
N
S
O
O
H
2
C
|
IC50 |
< |
0.3 |
nM |
455.57 |
C=CS(=O)(=O)N1CC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL4447575 |
OBDepict
CH
3
O
Cl
O
CH
3
Cl
N
N
H
N
N
H
O
N
N
O
H
3
C
|
IC50 |
= |
0.3 |
nM |
569.45 |
COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C(C)=O)CC5)cc4)n[nH]c3n2)c1Cl |
Homo sapiens |
CHEMBL4426404 |
single protein format |
CHEMBL4475243 |
OBDepict
CH
2
N
O
H
N
N
S
N
H
2
N
O
H
3
C
CH
3
|
IC50 |
< |
0.3 |
nM |
433.54 |
C=CC(=O)N1CC[C@H](n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL4560984 |
OBDepict
CH
2
N
O
N
N
S
N
H
2
N
O
H
3
C
CH
3
|
IC50 |
< |
0.3 |
nM |
433.54 |
C=CC(=O)N1CCC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL4469836 |
OBDepict
CH
3
O
Cl
O
CH
3
Cl
N
N
H
N
N
H
O
N
N
H
3
C
|
IC50 |
= |
0.3 |
nM |
541.44 |
COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]c3n2)c1Cl |
Homo sapiens |
CHEMBL4426404 |
single protein format |
CHEMBL4553127 |
OBDepict
OH
N
N
N
H
O
N
N
H
N
Cl
Cl
O
O
H
3
C
CH
3
|
IC50 |
= |
0.3 |
nM |
571.47 |
COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(CCO)CC5)cc4)n[nH]c3n2)c1Cl |
Homo sapiens |
CHEMBL4426404 |
single protein format |
CHEMBL4461734 |
OBDepict
CH
N
O
N
N
S
N
H
2
N
O
H
3
C
H
3
C
|
IC50 |
= |
0.3 |
nM |
431.52 |
C#CC(=O)N1CCC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL3828009 |
OBDepict
HO
N
N
N
N
H
O
CH
3
H
Cl
Cl
N
|
IC50 |
= |
0.3 |
nM |
444.32 |
C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL4447359 |
OBDepict
H
3
C
O
N
N
N
H
O
N
N
H
N
Cl
Cl
O
O
H
3
C
CH
3
|
IC50 |
= |
0.3 |
nM |
585.49 |
COCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(-c5c(Cl)c(OC)cc(OC)c5Cl)ccc34)cc2)CC1 |
Homo sapiens |
CHEMBL4426404 |
single protein format |
CHEMBL3681271 |
OBDepict
CH
3
N
H
3
C
N
H
O
N
H
2
N
N
N
N
H
CH
3
|
IC50 |
= |
0.32 |
nM |
467.58 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(CN6C(C)CCC6C)ccc5[nH]4)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3705411 |
single protein format |
CHEMBL3828439 |
OBDepict
H
3
C
N
H
3
C
N
O
CH
3
N
N
H
N
N
H
O
CH
3
Cl
Cl
N
|
IC50 |
= |
0.4 |
nM |
538.44 |
CC(Oc1ccc2[nH]nc(-c3nc4cc(N(C)C(=O)CN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL4297522 |
OBDepict
CH
3
N
O
N
N
N
F
F
H
O
O
N
H
3
C
H
3
C
O
|
IC50 |
= |
0.4 |
nM |
487.51 |
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21 |
Homo sapiens |
CHEMBL4838111 |
single protein format |
CHEMBL4099992 |
OBDepict
CH
2
N
O
O
N
N
O
NH
N
H
3
C
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
= |
0.4 |
nM |
534.4 |
C=CC(=O)N1CC(OCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)C1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL4448252 |
OBDepict
H
3
C
N
CH
3
N
H
O
N
N
O
O
N
H
2
N
N
CH
3
H
Br
|
IC50 |
= |
0.4 |
nM |
562.43 |
Cc1c(-c2c3c(N)n[nH]c(=O)c3nn2-c2ccc(NC(=O)/C=C/CN(C)C)cc2)oc2ccc(Br)cc12 |
Homo sapiens |
CHEMBL4313066 |
single protein format |
CHEMBL4294625 |
OBDepict
OH
O
O
N
N
H
O
CH
3
N
N
H
O
N
HO
|
IC50 |
= |
0.5 |
nM |
573.65 |
CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCO)cc21 |
Homo sapiens |
CHEMBL4271732 |
assay format |
CHEMBL4567187 |
OBDepict
H
3
C
N
N
N
H
O
N
N
H
N
Cl
Cl
O
O
CH
3
H
3
C
|
IC50 |
= |
0.5 |
nM |
555.47 |
CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(-c5c(Cl)c(OC)cc(OC)c5Cl)ccc34)cc2)CC1 |
Homo sapiens |
CHEMBL4426404 |
single protein format |
CHEMBL3951786 |
OBDepict
H
3
C
O
S
H
3
C
N
H
2
N
N
N
O
N
N
NH
|
IC50 |
= |
0.5 |
nM |
475.58 |
COc1cc(C)cc2cc(-c3c(-c4cnco4)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL4091628 |
OBDepict
CH
3
N
N
F
F
F
HN
O
Cl
N
N
O
|
IC50 |
= |
0.5 |
nM |
598.07 |
CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(C#Cc4cncc(N5CCOCC5)c4)c3)cc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL4002763 |
single protein format |
CHEMBL4862576 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
N
O
CH
3
CH
3
N
N
H
3
C
|
IC50 |
= |
0.57 |
nM |
462.55 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL4859203 |
OBDepict
CH
3
O
O
N
CH
3
N
N
O
N
N
CH
3
|
IC50 |
= |
0.57 |
nM |
431.5 |
COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL4068509 |
OBDepict
CH
2
N
O
N
N
N
O
HN
N
CH
3
Cl
Cl
O
O
CH
3
CH
3
|
IC50 |
= |
0.6 |
nM |
561.47 |
C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL4469557 |
OBDepict
CH
2
N
O
N
N
S
N
H
2
N
O
H
3
C
CH
3
|
IC50 |
= |
0.6 |
nM |
419.51 |
C=CC(=O)N1CC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL4554319 |
OBDepict
CH
2
N
O
H
N
N
S
N
H
2
N
O
H
3
C
CH
3
|
IC50 |
= |
0.6 |
nM |
433.54 |
C=CC(=O)N1CC[C@@H](n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL4441696 |
OBDepict
CH
2
N
O
N
N
S
N
H
2
N
O
H
3
C
H
3
C
|
IC50 |
= |
0.6 |
nM |
447.56 |
C=CC(=O)N1CCC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)CC1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL4441872 |
OBDepict
H
3
C
O
Cl
O
CH
3
Cl
N
N
H
N
N
H
O
N
N
H
2
C
|
IC50 |
= |
0.6 |
nM |
567.48 |
C=CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(-c5c(Cl)c(OC)cc(OC)c5Cl)ccc34)cc2)CC1 |
Homo sapiens |
CHEMBL4426404 |
single protein format |
CHEMBL3827725 |
OBDepict
H
3
C
O
NH
N
N
H
N
N
H
O
H
3
C
Cl
Cl
N
|
IC50 |
= |
0.6 |
nM |
497.39 |
COCCNc1ccc2[nH]c(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)nc2c1 |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL4848334 |
OBDepict
H
3
C
O
O
N
H
3
C
N
N
H
N
O
H
3
C
CH
3
N
N
N
H
|
IC50 |
= |
0.65 |
nM |
531.66 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCNCC5)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL3681272 |
OBDepict
F
N
N
H
O
N
NH
2
N
N
N
H
H
3
C
|
IC50 |
= |
0.67 |
nM |
471.54 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(CN6CCCC(F)C6)ccc5[nH]4)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3705411 |
single protein format |
CHEMBL3909132 |
OBDepict
CH
3
O
S
CH
3
N
NH
2
N
N
O
N
N
H
|
IC50 |
= |
0.7 |
nM |
492.65 |
COc1cc(C)cc2cc(-c3c(COCC4CC4)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL1171837 |
OBDepict
H
3
C
N
N
F
F
F
N
H
O
CH
3
N
N
N
|
IC50 |
= |
0.7 |
nM |
532.57 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 |
Homo sapiens |
CHEMBL3372487 |
single protein format |
CHEMBL3924399 |
OBDepict
CH
3
O
N
N
N
S
NH
2
N
HN
O
CH
3
CH
3
|
IC50 |
= |
0.7 |
nM |
466.61 |
CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNCC1 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL4061766 |
OBDepict
CH
2
N
O
O
N
N
O
HN
N
CH
3
Cl
Cl
O
O
CH
3
CH
3
|
IC50 |
= |
0.7 |
nM |
562.45 |
C=CC(=O)N1CCCC(OCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)C1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL4083740 |
OBDepict
H
2
C
NH
O
N
N
O
N
H
N
CH
3
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
= |
0.7 |
nM |
506.39 |
C=CC(=O)NCCCCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(NC)nc21 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL4092354 |
OBDepict
CH
3
HN
N
N
N
N
O
N
Cl
Cl
O
O
O
CH
3
CH
3
N
H
3
C
CH
3
|
IC50 |
= |
0.73 |
nM |
578.5 |
CNc1ncc2c(n1)N(C1CCN(C(=O)/C=C/CN(C)C)CC1)C(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2 |
Homo sapiens |
CHEMBL4043777 |
assay format |
CHEMBL4846809 |
OBDepict
CH
3
O
F
O
N
CH
3
F
O
N
H
3
C
N
N
H
O
|
IC50 |
= |
0.79 |
nM |
416.38 |
COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(C)C2=O)C2(CC2)C(=O)N4)c1F |
Homo sapiens |
CHEMBL4810137 |
single protein format |
CHEMBL4580623 |
OBDepict
CH
2
N
O
N
N
S
N
H
2
N
O
CH
3
|
IC50 |
= |
0.8 |
nM |
419.51 |
C=CC(=O)N1CCC(n2cc(-c3cc4cccc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL4073347 |
OBDepict
OH
NH
HO
N
N
N
O
Cl
O
O
H
3
C
H
3
C
NH
O
CH
2
|
IC50 |
= |
0.8 |
nM |
580.04 |
C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC(CO)CO)nc32)cc1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL4467025 |
OBDepict
H
2
C
N
H
O
N
N
O
O
N
H
2
N
N
CH
3
H
Cl
|
IC50 |
= |
0.8 |
nM |
460.88 |
C=CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(Cl)cc3c2C)cc1 |
Homo sapiens |
CHEMBL4313066 |
single protein format |
CHEMBL4558466 |
OBDepict
CH
2
N
O
N
N
S
N
H
2
N
O
CH
3
|
IC50 |
= |
0.8 |
nM |
405.48 |
C=CC(=O)N1CC(n2cc(-c3cc4cccc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL4444412 |
OBDepict
CH
3
O
S
CH
3
N
NH
2
N
N
N
O
N
H
3
C
H
3
C
|
IC50 |
= |
0.8 |
nM |
490.63 |
COc1cc(C)cc2cc(-c3cn(C4CCN(C(=O)/C=C/CN(C)C)C4)c4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL3828465 |
OBDepict
H
3
C
O
Cl
Cl
N
N
N
H
N
N
H
N
N
|
IC50 |
= |
0.8 |
nM |
590.56 |
CC(Oc1ccc2[nH]nc(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL4552123 |
OBDepict
CH
3
N
O
N
N
S
N
H
2
N
O
H
3
C
CH
3
|
IC50 |
= |
0.8 |
nM |
435.55 |
CCC(=O)N1CCC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL3676325 |
OBDepict
O
N
N
H
2
N
N
H
O
N
N
H
H
3
C
CH
3
O
|
IC50 |
= |
0.81 |
nM |
456.51 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(OCC6(C)COC6)cc5[nH]4)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3705411 |
single protein format |
CHEMBL4849539 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
N
O
CH
3
CH
3
N
N
N
O
H
3
C
|
IC50 |
= |
0.82 |
nM |
573.7 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(C(C)=O)CC5)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL4557987 |
OBDepict
CH
3
O
S
H
3
C
N
H
2
N
N
N
N
O
CH
2
N
H
3
C
CH
3
|
IC50 |
= |
0.9 |
nM |
490.63 |
C=C(CN(C)C)C(=O)N1CCC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382839 |
single protein format |
CHEMBL3827178 |
OBDepict
H
3
C
N
N
N
N
H
N
N
H
O
CH
3
H
Cl
Cl
N
|
IC50 |
= |
0.9 |
nM |
522.44 |
C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL3979384 |
OBDepict
H
3
C
O
S
H
3
C
N
H
2
N
N
N
O
N
NH
|
IC50 |
= |
0.9 |
nM |
492.65 |
COc1cc(C)cc2cc(-c3c(COC4CCC4)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL3895503 |
OBDepict
OH
O
N
N
N
S
NH
2
N
HN
O
CH
3
CH
3
|
IC50 |
= |
0.9 |
nM |
482.61 |
COc1cc(C)cc2cc(-c3c(COCCO)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL3892887 |
OBDepict
H
3
C
O
N
N
N
S
H
2
N
N
NH
O
H
3
C
CH
3
|
IC50 |
= |
0.9 |
nM |
452.58 |
COCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNCC1 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL3934668 |
OBDepict
H
3
C
O
S
CH
3
N
NH
2
N
N
HN
N
O
H
3
C
HN
|
IC50 |
= |
1.0 |
nM |
479.61 |
COc1cc(C)cc2cc(-c3c(CNC(C)=O)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL3827268 |
OBDepict
H
3
C
N
N
N
H
N
N
H
O
CH
3
Cl
Cl
N
|
IC50 |
= |
1.0 |
nM |
521.45 |
CC(Oc1ccc2[nH]nc(-c3nc4cc(C5CCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL498551 |
OBDepict
CH
3
N
N
N
NH
2
H
O
N
N
H
|
IC50 |
= |
1.0 |
nM |
374.45 |
CN1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)CC1 |
Homo sapiens |
CHEMBL1010125 |
single protein format |
CHEMBL3926373 |
OBDepict
H
3
C
O
S
H
3
C
N
H
2
N
N
N
O
N
O
H
2
N
NH
|
IC50 |
= |
1.0 |
nM |
495.61 |
COc1cc(C)cc2cc(-c3c(COCC(N)=O)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL495749 |
OBDepict
CH
3
N
O
N
NH
2
H
O
N
N
H
|
IC50 |
= |
1.0 |
nM |
389.46 |
CN1CCCC(Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)C1 |
Homo sapiens |
CHEMBL1010125 |
single protein format |
CHEMBL3800526 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
N
|
IC50 |
= |
1.0 |
nM |
513.65 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN6CCCCC6C5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3804520 |
single protein format |
CHEMBL3985178 |
OBDepict
CH
3
O
N
N
N
S
NH
2
N
H
3
C
H
2
N
O
CH
3
CH
3
|
IC50 |
= |
1.0 |
nM |
480.64 |
CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CC[C@](C)(N)C1 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL3828740 |
OBDepict
H
3
C
N
N
N
N
H
N
N
H
O
CH
3
Cl
Cl
N
|
IC50 |
= |
1.0 |
nM |
522.44 |
CC(Oc1ccc2[nH]nc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL1852688 |
OBDepict
CH
3
N
N
N
H
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.0 |
nM |
560.49 |
CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 |
Homo sapiens |
CHEMBL3889134 |
single protein format |
CHEMBL378024 |
OBDepict
O
HN
HN
CH
3
H
3
C
CH
3
N
N
H
N
N
H
N
N
|
IC50 |
= |
1.0 |
nM |
514.68 |
CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4cc(N5CCC(N6CCCCC6)CC5)ccc4[nH]3)c2c1 |
Homo sapiens |
CHEMBL862851 |
single protein format |
CHEMBL4092456 |
OBDepict
OH
N
H
N
N
N
O
Cl
O
O
H
3
C
H
3
C
NH
O
CH
2
|
IC50 |
= |
1.0 |
nM |
550.02 |
C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NCCO)nc32)cc1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL4290371 |
OBDepict
H
3
C
NH
O
O
N
N
H
O
N
N
H
3
C
|
IC50 |
= |
1.0 |
nM |
495.58 |
CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)c3)ccc12 |
Homo sapiens |
CHEMBL4271704 |
single protein format |
CHEMBL4089842 |
OBDepict
H
2
C
N
O
N
H
3
C
N
N
O
HN
N
CH
3
Cl
Cl
O
O
CH
3
CH
3
|
IC50 |
= |
1.0 |
nM |
547.44 |
C=CC(=O)N1CC(N(C)CCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)C1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL4872440 |
OBDepict
CH
3
N
N
N
O
N
N
HN
O
O
CH
3
CH
3
CH
3
CH
3
|
IC50 |
= |
1.0 |
nM |
490.61 |
CCCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cn3c2=O)cn1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL3905236 |
OBDepict
OH
N
H
N
N
N
S
NH
2
N
HN
O
CH
3
CH
3
|
IC50 |
= |
1.1 |
nM |
481.63 |
COc1cc(C)cc2cc(-c3c(CNCCO)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL4067760 |
OBDepict
CH
3
N
N
F
F
F
N
H
O
CH
3
N
N
H
3
C
|
IC50 |
= |
1.1 |
nM |
545.61 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cncc2c1ccn2C |
Homo sapiens |
CHEMBL4002763 |
single protein format |
CHEMBL4863146 |
OBDepict
CH
3
O
Cl
O
N
CH
3
Cl
O
N
H
3
C
N
N
H
|
IC50 |
= |
1.1 |
nM |
407.26 |
COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1Cl |
Homo sapiens |
CHEMBL4810137 |
single protein format |
CHEMBL4081243 |
OBDepict
CH
3
N
N
F
F
F
HN
O
N
|
IC50 |
= |
1.1 |
nM |
528.58 |
CN1CCN(Cc2ccc(NC(=O)c3cccc(C#Cc4cncc5ccccc45)c3)cc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL4002763 |
single protein format |
CHEMBL4863224 |
OBDepict
CH
3
O
O
N
CH
3
F
O
N
H
3
C
N
N
H
|
IC50 |
= |
1.1 |
nM |
356.36 |
COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1 |
Homo sapiens |
CHEMBL4810137 |
single protein format |
CHEMBL3827330 |
OBDepict
HO
N
N
H
N
N
H
O
CH
3
H
Cl
Cl
N
|
IC50 |
= |
1.2 |
nM |
468.34 |
C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(CCO)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830044 |
single protein format |
CHEMBL4446835 |
OBDepict
H
2
C
N
H
O
N
N
O
O
N
H
2
N
N
CH
3
H
H
3
C
|
IC50 |
= |
1.2 |
nM |
440.46 |
C=CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)cc1 |
Homo sapiens |
CHEMBL4313066 |
single protein format |
CHEMBL4282503 |
OBDepict
CH
3
N
H
O
O
N
N
H
O
N
O
|
IC50 |
= |
1.2 |
nM |
482.54 |
CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCOCC5)cc4)c3)ccc12 |
Homo sapiens |
CHEMBL4271704 |
single protein format |
CHEMBL4863732 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
N
O
CH
3
CH
3
N
N
N
CH
3
H
3
C
|
IC50 |
= |
1.2 |
nM |
519.65 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCN(C)C)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL4105491 |
OBDepict
H
3
C
N
N
F
F
F
NH
O
CH
3
N
|
IC50 |
= |
1.2 |
nM |
542.61 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cncc2ccccc12 |
Homo sapiens |
CHEMBL4002763 |
single protein format |
CHEMBL4873837 |
OBDepict
CH
3
O
O
N
CH
3
N
NH
N
O
CH
3
H
3
C
N
N
N
O
|
IC50 |
= |
1.2 |
nM |
561.69 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCN5CCOCC5)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL3984621 |
OBDepict
HO
N
Cl
N
H
2
N
O
N
H
N
O
|
IC50 |
= |
1.2 |
nM |
451.91 |
Nc1c(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)cnn1-c1cc(O)ccc1Cl |
Homo sapiens |
CHEMBL3861870 |
single protein format |
CHEMBL4871676 |
OBDepict
H
3
C
O
O
N
H
3
C
N
N
H
N
O
H
3
C
CH
3
N
N
O
|
IC50 |
= |
1.2 |
nM |
532.65 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL4845884 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
N
O
H
3
C
H
3
C
N
N
N
H
|
IC50 |
= |
1.2 |
nM |
503.61 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CNC5)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL4288908 |
OBDepict
HO
N
NH
O
N
O
NH
O
CH
3
|
IC50 |
= |
1.2 |
nM |
524.62 |
CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)ccc12 |
Homo sapiens |
CHEMBL4271704 |
single protein format |
CHEMBL3701266 |
OBDepict
CH
2
N
O
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
1.2 |
nM |
405.46 |
C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)C3C(N)=NC=NC32)C1 |
Homo sapiens |
CHEMBL3705581 |
single protein format |
CHEMBL4872664 |
OBDepict
F
N
N
N
O
N
N
N
H
O
O
H
3
C
CH
3
CH
3
CH
3
|
IC50 |
= |
1.2 |
nM |
494.57 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(CCF)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL3545376 |
OBDepict
CH
3
O
O
N
CH
3
N
H
N
N
CH
3
CH
3
N
N
H
3
C
|
IC50 |
= |
1.2 |
nM |
446.56 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 |
Homo sapiens |
CHEMBL4400598 |
single protein format |
CHEMBL4061286 |
OBDepict
CH
2
NH
O
N
N
N
O
NH
N
CH
3
Cl
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.3 |
nM |
520.98 |
C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)cn1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL4099578 |
OBDepict
CH
2
NH
O
N
N
O
NH
N
CH
3
Cl
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.3 |
nM |
519.99 |
C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)cc1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL3348846 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
O
N
H
CH
3
HN
H
H
3
C
|
IC50 |
= |
1.3 |
nM |
463.58 |
COc1cc(CCc2cc(NC(=O)c3ccc(N4C[C@H](C)N[C@H](C)C4)cc3)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3404248 |
single protein format |
CHEMBL4876247 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
N
O
CH
3
CH
3
N
N
N
H
3
C
|
IC50 |
= |
1.3 |
nM |
545.69 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C5CCN(C)CC5)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838026 |
cell-based format |
CHEMBL3956762 |
OBDepict
CH
3
HN
O
N
F
N
N
F
N
N
H
3
C
|
IC50 |
= |
1.3 |
nM |
444.45 |
CC(=O)Nc1cc(-c2ccc(F)cc2F)cc(-n2cnc3cc(-c4cnn(C)c4)cnc32)c1 |
Homo sapiens |
CHEMBL3889056 |
single protein format |
CHEMBL3907995 |
OBDepict
CH
3
O
N
N
N
S
NH
2
N
HN
O
CH
3
H
3
C
|
IC50 |
= |
1.3 |
nM |
480.64 |
CCCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNCC1 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL3937124 |
OBDepict
CH
3
O
S
CH
3
N
NH
2
N
N
N
Cl
HN
O
|
IC50 |
= |
1.3 |
nM |
456.96 |
COc1cc(C)cc2cc(-c3c(CN4CCNC(=O)C4)c(Cl)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL4086643 |
OBDepict
CH
3
N
N
F
F
F
HN
O
F
N
|
IC50 |
= |
1.3 |
nM |
546.57 |
CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(C#Cc4cncc5ccccc45)c3)cc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL4002763 |
single protein format |
CHEMBL4083151 |
OBDepict
CH
2
NH
O
N
N
N
O
NH
N
CH
3
Cl
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.3 |
nM |
520.98 |
C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)nc1 |
Homo sapiens |
CHEMBL4013816 |
single protein format |
CHEMBL3918062 |
OBDepict
H
3
C
O
S
CH
3
N
NH
2
N
N
O
N
CH
3
H
3
C
HN
|
IC50 |
= |
1.3 |
nM |
480.64 |
COc1cc(C)cc2cc(-c3c(COC(C)C)c(CN4CCNCC4)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL4576419 |
OBDepict
CH
3
O
Cl
O
CH
3
Cl
N
N
H
N
N
H
O
N
N
CH
3
H
3
C
|
IC50 |
= |
1.4 |
nM |
569.49 |
COc1cc(OC)c(Cl)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C(C)C)CC5)cc4)n[nH]c3n2)c1Cl |
Homo sapiens |
CHEMBL4426404 |
single protein format |
CHEMBL3938823 |
OBDepict
H
3
C
O
N
N
N
S
H
2
N
N
CH
3
NH
2
O
H
3
C
CH
3
|
IC50 |
= |
1.4 |
nM |
466.61 |
COCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CC[C@](C)(N)C1 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL3929322 |
OBDepict
H
3
C
O
S
CH
3
N
NH
2
N
N
HN
N
H
O
H
3
C
O
CH
3
|
IC50 |
= |
1.4 |
nM |
452.54 |
COc1cc(C)cc2cc(-c3c(CNC(C)=O)c(CNC(C)=O)n4ncnc(N)c34)sc12 |
Homo sapiens |
CHEMBL3887674 |
single protein format |
CHEMBL3701239 |
OBDepict
CH
N
O
H
N
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
1.4 |
nM |
416.44 |
C#CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705581 |
single protein format |