molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4870179 |
|
IC50 |
= |
0.15 |
nM |
374.35 |
COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F |
Homo sapiens |
CHEMBL4810138 |
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 |
= |
0.2 |
nM |
462.55 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838031 |
cell-based format |
CHEMBL3800526 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
N
|
IC50 |
= |
0.2 |
nM |
513.65 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN6CCCCC6C5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3798625 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
H
CH
3
N
H
H
3
C
H
3
C
|
IC50 |
= |
0.2 |
nM |
501.64 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5C[C@H](C)N(C)[C@H](C)C5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3701266 |
OBDepict
CH
2
N
O
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
< |
0.3 |
nM |
405.46 |
C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)C3C(N)=NC=NC32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3797507 |
OBDepict
H
3
C
N
N
N
N
N
H
N
N
H
Cl
Cl
O
O
CH
3
H
3
C
|
IC50 |
= |
0.3 |
nM |
556.5 |
CCN1CCN(c2ccc3c(Nc4cc(CCc5c(Cl)c(OC)cc(OC)c5Cl)[nH]n4)ncnc3c2)CC1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL4862823 |
OBDepict
CH
3
O
F
O
N
CH
3
Cl
O
N
H
3
C
N
N
H
|
IC50 |
= |
0.3 |
nM |
390.8 |
COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1F |
Homo sapiens |
CHEMBL4810138 |
single protein format |
CHEMBL3701278 |
OBDepict
H
3
C
O
O
H
N
H
N
O
CH
2
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
< |
0.3 |
nM |
475.51 |
C=CC(=O)N1C[C@@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1C(=O)OC |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4091628 |
OBDepict
CH
3
N
N
F
F
F
HN
O
Cl
N
N
O
|
IC50 |
= |
0.3 |
nM |
598.07 |
CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(C#Cc4cncc(N5CCOCC5)c4)c3)cc2C(F)(F)F)CC1 |
Homo sapiens |
CHEMBL4002766 |
single protein format |
CHEMBL3797845 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.3 |
nM |
501.64 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCC(N(C)C)CC5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3701258 |
OBDepict
CH
2
N
O
H
N
N
N
H
2
N
O
O
CH
3
CH
3
|
IC50 |
= |
0.4 |
nM |
417.47 |
C=CC(=O)N1CC[C@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3797594 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
N
H
3
C
H
3
C
|
IC50 |
= |
0.4 |
nM |
487.61 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCC(N(C)C)C5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3798342 |
OBDepict
CH
3
O
O
CH
3
N
H
N
NH
N
N
N
O
|
IC50 |
= |
0.4 |
nM |
460.54 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCOCC5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3701256 |
OBDepict
CH
H
N
H
N
O
N
H
2
C
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
0.4 |
nM |
442.48 |
C#C[C@@H]1C[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)CN1C(=O)C=C |
Homo sapiens |
CHEMBL3705582 |
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 |
CHEMBL4271733 |
assay format |
CHEMBL3797416 |
OBDepict
H
3
C
N
N
N
N
H
N
H
3
C
N
N
H
O
O
CH
3
CH
3
|
IC50 |
= |
0.5 |
nM |
515.66 |
CCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CCN(CC)CC3)cc2n1 |
Homo sapiens |
CHEMBL3803146 |
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 |
= |
0.5 |
nM |
487.51 |
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21 |
Homo sapiens |
CHEMBL4838112 |
single protein format |
CHEMBL3799426 |
OBDepict
CH
3
O
O
CH
3
N
H
N
N
H
N
N
N
N
|
IC50 |
= |
0.6 |
nM |
513.65 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN(C6CCC6)CC5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3799403 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.6 |
nM |
501.64 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN(C(C)C)CC5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3701268 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
N
O
N
|
IC50 |
= |
0.6 |
nM |
486.58 |
COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN4CCCC4)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3799611 |
OBDepict
CH
3
N
N
N
N
H
N
CH
3
N
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
0.6 |
nM |
501.64 |
CCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)nc(C)nc3c2)CC1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3799093 |
OBDepict
CH
3
N
N
N
N
H
N
Cl
N
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
0.6 |
nM |
522.05 |
CCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)nc(Cl)nc3c2)CC1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3798940 |
OBDepict
CH
3
O
N
N
N
N
N
H
N
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
0.7 |
nM |
517.63 |
COCCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)ncnc3c2)CC1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3797998 |
OBDepict
H
3
C
O
O
H
3
C
N
H
N
NH
N
N
N
N
CH
3
|
IC50 |
= |
0.7 |
nM |
487.61 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCCN(C)CC5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
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 |
= |
0.7 |
nM |
585.49 |
COCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(-c5c(Cl)c(OC)cc(OC)c5Cl)ccc34)cc2)CC1 |
Homo sapiens |
CHEMBL4426417 |
single protein format |
CHEMBL3799885 |
OBDepict
CH
3
N
N
HN
N
N
N
H
N
H
3
C
O
O
CH
3
CH
3
|
IC50 |
= |
0.7 |
nM |
529.69 |
CCCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CCN(CC)CC3)cc2n1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3798997 |
OBDepict
CH
3
N
N
N
N
N
H
N
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
0.8 |
nM |
487.61 |
CCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)ncnc3c2)CC1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL4475243 |
OBDepict
CH
2
N
O
H
N
N
S
N
H
2
N
O
H
3
C
CH
3
|
IC50 |
= |
0.8 |
nM |
433.54 |
C=CC(=O)N1CC[C@H](n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382846 |
single protein format |
CHEMBL3800072 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
H
3
C
|
IC50 |
= |
0.8 |
nM |
472.59 |
COc1cc(CCc2cc(Nc3ncnc4cc(C5CCN(C)CC5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3798911 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
HN
H
3
C
H
3
C
|
IC50 |
= |
0.9 |
nM |
487.61 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCNC(C)(C)C5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3798532 |
OBDepict
CH
3
O
O
N
N
N
H
N
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
0.9 |
nM |
449.51 |
COCCOc1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)ncnc2c1 |
Homo sapiens |
CHEMBL3803146 |
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 |
CHEMBL3998328 |
single protein format |
CHEMBL3701275 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
N
O
N
H
OH
|
IC50 |
= |
1.0 |
nM |
502.58 |
COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN4CC[C@@H](O)C4)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3799354 |
OBDepict
CH
3
O
O
CH
3
N
H
N
HN
N
N
N
N
H
3
C
|
IC50 |
= |
1.0 |
nM |
473.58 |
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN(C)CC5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3701267 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
N
O
N
CH
3
H
3
C
|
IC50 |
= |
1.0 |
nM |
460.54 |
COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4863146 |
OBDepict
CH
3
O
Cl
O
N
CH
3
Cl
O
N
H
3
C
N
N
H
|
IC50 |
= |
1.0 |
nM |
407.26 |
COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1Cl |
Homo sapiens |
CHEMBL4810138 |
single protein format |
CHEMBL495727 |
OBDepict
O
NH
NH
N
N
H
N
N
H
N
O
|
IC50 |
= |
1.0 |
nM |
381.44 |
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 |
Homo sapiens |
CHEMBL1009900 |
single protein format |
CHEMBL3701241 |
OBDepict
CH
2
N
O
N
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
1.1 |
nM |
404.43 |
C=CC(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
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 |
= |
1.1 |
nM |
460.88 |
C=CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(Cl)cc3c2C)cc1 |
Homo sapiens |
CHEMBL4313068 |
single protein format |
CHEMBL3701239 |
OBDepict
CH
N
O
H
N
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
1.1 |
nM |
416.44 |
C#CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3701238 |
OBDepict
CH
2
N
O
H
N
N
N
N
H
2
N
O
O
CH
3
CH
3
|
IC50 |
= |
1.1 |
nM |
418.46 |
C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3701271 |
OBDepict
CH
3
N
H
3
C
N
O
N
N
N
H
2
N
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.2 |
nM |
488.59 |
CCN(CC)C/C=C/C(=O)N1CC(n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3800415 |
OBDepict
CH
3
N
N
N
N
H
N
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
1.2 |
nM |
486.62 |
CCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)nccc3c2)CC1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3701242 |
OBDepict
HO
N
O
N
N
N
N
NH
2
O
O
CH
3
H
3
C
|
IC50 |
= |
1.2 |
nM |
432.44 |
COc1cc(C#Cc2nn(C3CN(C(=O)C#CCO)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4763773 |
OBDepict
CH
3
O
N
N
H
N
N
N
N
H
3
C
F
F
O
O
CH
3
CH
3
|
IC50 |
= |
1.2 |
nM |
582.7 |
COc1cc(Nc2ncc(CCc3c(F)c(OC)cc(OC)c3F)cn2)ccc1N1CCC(N2CCN(C)CC2)CC1 |
Homo sapiens |
CHEMBL4724603 |
assay format |
CHEMBL3701279 |
OBDepict
CH
2
N
O
H
H
N
N
O
N
N
N
H
2
N
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.2 |
nM |
485.5 |
C=CC(=O)N1C[C@@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1c1nnco1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4068509 |
OBDepict
CH
2
N
O
N
N
N
O
HN
N
CH
3
Cl
Cl
O
O
CH
3
CH
3
|
Ki |
= |
1.3 |
nM |
561.47 |
C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1 |
Homo sapiens |
CHEMBL4013895 |
single protein format |
CHEMBL4068509 |
OBDepict
CH
2
N
O
N
N
N
O
HN
N
CH
3
Cl
Cl
O
O
CH
3
CH
3
|
IC50 |
= |
1.3 |
nM |
561.47 |
C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1 |
Homo sapiens |
CHEMBL4013817 |
single protein format |
CHEMBL3800352 |
OBDepict
H
3
C
O
O
H
3
C
N
H
N
NH
N
N
N
H
N
O
|
IC50 |
= |
1.3 |
nM |
503.61 |
COc1cc(CCc2cc(Nc3ncnc4cc(NCCN5CCOCC5)ccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL1171837 |
OBDepict
H
3
C
N
N
F
F
F
N
H
O
CH
3
N
N
N
|
IC50 |
= |
1.3 |
nM |
532.57 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 |
Homo sapiens |
CHEMBL4002766 |
single protein format |
CHEMBL4847441 |
OBDepict
CH
3
O
O
N
CH
3
Cl
O
N
H
3
C
N
N
H
|
IC50 |
= |
1.4 |
nM |
372.81 |
COc1cc(OC)c(Cl)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1 |
Homo sapiens |
CHEMBL4810138 |
single protein format |
CHEMBL4863224 |
OBDepict
CH
3
O
O
N
CH
3
F
O
N
H
3
C
N
N
H
|
IC50 |
= |
1.4 |
nM |
356.36 |
COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1 |
Homo sapiens |
CHEMBL4810138 |
single protein format |
CHEMBL1784637 |
OBDepict
HO
N
N
F
F
F
N
H
O
CH
3
N
N
CH
3
N
H
O
CH
3
|
IC50 |
= |
1.5 |
nM |
582.63 |
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C |
Homo sapiens |
CHEMBL1785581 |
single protein format |
CHEMBL3701270 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
N
O
N
H
CH
3
CH
3
|
IC50 |
= |
1.5 |
nM |
474.57 |
COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CNC(C)C)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
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 |
= |
1.5 |
nM |
440.46 |
C=CC(=O)Nc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)cc1 |
Homo sapiens |
CHEMBL4313068 |
single protein format |
CHEMBL3701272 |
OBDepict
CH
3
O
N
H
3
C
N
O
N
N
N
H
2
N
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.5 |
nM |
504.59 |
COCCN(C)C/C=C/C(=O)N1CC(n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4062877 |
OBDepict
OH
HN
H
N
HO
F
N
H
3
C
N
H
|
IC50 |
= |
1.6 |
nM |
454.51 |
Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(F)ccc3O)cc12 |
Homo sapiens |
CHEMBL4018626 |
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 |
= |
1.62 |
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 |
CHEMBL4043778 |
assay format |
CHEMBL4463714 |
OBDepict
CH
3
N
CH
3
N
H
O
N
N
O
O
N
NH
2
N
H
3
C
H
CH
3
|
IC50 |
= |
1.9 |
nM |
497.56 |
Cc1ccc2oc(-c3c4c(N)n[nH]c(=O)c4nn3-c3ccc(NC(=O)/C=C/CN(C)C)cc3)c(C)c2c1 |
Homo sapiens |
CHEMBL4313068 |
single protein format |
CHEMBL2071201 |
OBDepict
H
3
C
N
N
N
H
N
N
NH
Br
H
H
H
O
NH
2
H
|
IC50 |
= |
2.0 |
nM |
404.27 |
Cn1cc(Nc2ncc(Br)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)cn1 |
Homo sapiens |
CHEMBL2072345 |
single protein format |
CHEMBL3827178 |
OBDepict
H
3
C
N
N
N
N
H
N
N
H
O
CH
3
H
Cl
Cl
N
|
IC50 |
= |
2.0 |
nM |
522.44 |
C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL3830172 |
single protein format |
CHEMBL4067871 |
OBDepict
OH
N
H
H
N
OH
Cl
N
|
IC50 |
= |
2.0 |
nM |
467.96 |
OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3cnccc3c2)c1)c1ccccc1 |
Homo sapiens |
CHEMBL4018626 |
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 |
= |
2.0 |
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 |
CHEMBL4313068 |
single protein format |
CHEMBL4105407 |
OBDepict
H
3
C
N
N
N
H
O
N
N
H
F
F
O
H
3
C
|
IC50 |
= |
2.0 |
nM |
491.54 |
CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5c(F)ccc(OC)c5F)ccc34)cc2)CC1 |
Homo sapiens |
CHEMBL4056996 |
single protein format |
CHEMBL4086560 |
OBDepict
CH
3
O
F
F
N
H
N
N
H
O
N
N
H
3
C
|
IC50 |
= |
2.0 |
nM |
491.54 |
COc1ccc(F)c(-c2ccc3c(NC(=O)c4ccc(N5CCCN(C)CC5)cc4)n[nH]c3c2)c1F |
Homo sapiens |
CHEMBL4056996 |
single protein format |
CHEMBL3701262 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
H
N
O
HO
CH
3
CH
3
|
IC50 |
= |
2.0 |
nM |
473.53 |
COc1cc(C#Cc2cn([C@H]3CCN(C(=O)C#CC(C)(C)O)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3701243 |
OBDepict
H
3
C
O
O
H
3
C
N
N
H
2
N
N
N
N
O
N
CH
3
H
3
C
|
IC50 |
= |
2.2 |
nM |
461.53 |
COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3701273 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
N
O
N
OH
|
IC50 |
= |
2.3 |
nM |
516.6 |
COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN4CCC(O)CC4)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3701237 |
OBDepict
CH
2
N
O
N
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
2.4 |
nM |
418.46 |
C=CC(=O)N1CCC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3545376 |
OBDepict
CH
3
O
O
N
CH
3
N
H
N
N
CH
3
CH
3
N
N
H
3
C
|
IC50 |
= |
2.5 |
nM |
446.56 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 |
Homo sapiens |
CHEMBL4400599 |
single protein format |
CHEMBL3701269 |
OBDepict
H
3
C
O
O
H
3
C
N
N
N
N
O
N
|
IC50 |
= |
2.5 |
nM |
457.53 |
COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN4CCC4)C3)c3ncncc23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4076118 |
OBDepict
OH
HN
H
N
HO
F
N
CH
3
N
H
|
IC50 |
= |
2.5 |
nM |
454.51 |
Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cccc(F)c3O)cc12 |
Homo sapiens |
CHEMBL4018626 |
single protein format |
CHEMBL3828009 |
OBDepict
HO
N
N
N
N
H
O
CH
3
H
Cl
Cl
N
|
IC50 |
= |
2.6 |
nM |
444.32 |
C[C@@H](Oc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl |
Homo sapiens |
CHEMBL4400591 |
single protein format |
CHEMBL3798924 |
OBDepict
CH
3
O
N
H
N
N
N
H
N
N
H
O
O
CH
3
H
3
C
|
IC50 |
= |
2.7 |
nM |
448.53 |
COCCNc1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)ncnc2c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3701249 |
OBDepict
H
3
C
O
O
H
3
C
N
N
H
2
N
N
N
N
O
N
H
3
C
CH
3
CH
3
|
IC50 |
= |
2.7 |
nM |
489.58 |
COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/CN(C)C(C)C)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4074407 |
OBDepict
HO
NH
H
N
OH
F
N
CH
3
N
F
H
|
IC50 |
= |
2.8 |
nM |
472.5 |
Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(F)c(F)cc3O)cc12 |
Homo sapiens |
CHEMBL4018626 |
single protein format |
CHEMBL4104460 |
OBDepict
H
3
C
O
F
F
N
H
N
N
H
O
N
N
O
CH
3
|
IC50 |
= |
2.9 |
nM |
505.53 |
COc1ccc(F)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C(C)=O)CC5)cc4)n[nH]c3c2)c1F |
Homo sapiens |
CHEMBL4056996 |
single protein format |
CHEMBL3701245 |
OBDepict
CH
3
N
H
3
C
N
O
N
N
N
N
H
2
N
O
O
H
3
C
H
3
C
|
IC50 |
= |
3.0 |
nM |
475.55 |
CCN(C)C/C=C/C(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4073545 |
OBDepict
OH
HN
H
N
HO
N
CH
3
N
H
|
IC50 |
= |
3.0 |
nM |
436.52 |
Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3ccccc3O)cc12 |
Homo sapiens |
CHEMBL4018626 |
single protein format |
CHEMBL3797268 |
OBDepict
CH
3
O
O
CH
3
N
H
N
N
H
N
N
|
IC50 |
= |
3.2 |
nM |
375.43 |
COc1cc(CCc2cc(Nc3ncnc4ccccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
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 |
= |
3.2 |
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 |
CHEMBL3404249 |
single protein format |
CHEMBL3701259 |
OBDepict
H
3
C
O
O
H
3
C
N
H
2
N
N
N
H
N
O
N
|
IC50 |
= |
3.2 |
nM |
500.6 |
COc1cc(C#Cc2cn([C@H]3CCN(C(=O)/C=C/CN4CCCC4)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3676315 |
OBDepict
O
N
N
NH
2
N
H
O
N
N
H
CH
3
N
O
|
IC50 |
= |
3.2 |
nM |
485.55 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(OCCN6CCOCC6)cc5[nH]4)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3705409 |
assay format |
CHEMBL3701250 |
OBDepict
H
3
C
O
O
H
3
C
N
N
H
2
N
N
N
N
O
N
|
IC50 |
= |
3.3 |
nM |
501.59 |
COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/CN4CCCCC4)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL4077448 |
OBDepict
OH
HN
H
N
HO
F
F
N
H
3
C
N
H
|
IC50 |
= |
3.4 |
nM |
472.5 |
Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(F)cc(F)c3O)cc12 |
Homo sapiens |
CHEMBL4018626 |
single protein format |
CHEMBL3681278 |
OBDepict
O
N
N
NH
2
N
H
N
N
N
H
CH
3
O
|
IC50 |
= |
3.6 |
nM |
455.52 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(CN6CCOCC6)cc5[nH]4)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3861871 |
single protein format |
CHEMBL3681294 |
OBDepict
F
N
N
H
O
O
N
NH
2
N
N
N
H
CH
3
|
IC50 |
= |
3.6 |
nM |
475.53 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5c([nH]4)=CC(CN4CCOCC4)C(F)C=5)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3705409 |
assay format |
CHEMBL3701254 |
OBDepict
OH
H
N
N
O
N
CH
2
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
3.7 |
nM |
448.48 |
C=CC(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1CO |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3701246 |
OBDepict
H
3
C
O
O
H
3
C
N
N
H
2
N
N
N
N
O
N
H
|
IC50 |
= |
3.8 |
nM |
487.56 |
COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/CNC4CCC4)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3701244 |
OBDepict
H
3
C
O
O
H
3
C
N
N
H
2
N
N
N
N
O
N
H
CH
3
CH
3
|
IC50 |
= |
3.8 |
nM |
475.55 |
COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/CNC(C)C)C3)c3ncnc(N)c23)cc(OC)c1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3797238 |
OBDepict
CH
3
O
O
CH
3
N
H
N
NH
N
N
O
CH
3
|
IC50 |
= |
3.9 |
nM |
405.46 |
COc1cc(CCc2cc(Nc3ncnc4c(OC)cccc34)n[nH]2)cc(OC)c1 |
Homo sapiens |
CHEMBL3803146 |
single protein format |
CHEMBL3681303 |
OBDepict
CH
3
O
Cl
N
H
O
N
NH
2
N
N
N
H
H
3
C
|
IC50 |
= |
4.0 |
nM |
420.86 |
COc1cc2[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)cc2cc1Cl |
Homo sapiens |
CHEMBL3705409 |
assay format |
CHEMBL4076610 |
OBDepict
CH
3
N
N
N
H
O
N
N
H
F
O
CH
3
|
IC50 |
= |
4.0 |
nM |
473.55 |
CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5F)ccc34)cc2)CC1 |
Homo sapiens |
CHEMBL4056996 |
single protein format |
CHEMBL3681284 |
OBDepict
O
N
N
NH
2
N
H
N
N
N
H
CH
3
O
|
IC50 |
= |
4.0 |
nM |
441.5 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(N6CCOCC6)cc5[nH]4)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3705409 |
assay format |
CHEMBL4096740 |
OBDepict
CH
3
O
F
F
N
H
N
N
H
O
N
N
H
3
C
|
IC50 |
< |
4.1 |
nM |
477.52 |
COc1ccc(F)c(-c2ccc3c(NC(=O)c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c2)c1F |
Homo sapiens |
CHEMBL4056996 |
single protein format |
CHEMBL3701247 |
OBDepict
CH
3
N
H
3
C
N
O
N
N
N
N
H
2
N
O
O
H
3
C
H
3
C
|
IC50 |
= |
4.1 |
nM |
489.58 |
CCN(CC)C/C=C/C(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |
CHEMBL3984621 |
OBDepict
HO
N
Cl
N
H
2
N
O
N
H
N
O
|
IC50 |
= |
4.2 |
nM |
451.91 |
Nc1c(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)cnn1-c1cc(O)ccc1Cl |
Homo sapiens |
CHEMBL3861871 |
single protein format |
CHEMBL3676316 |
OBDepict
O
N
N
NH
2
N
H
O
N
N
H
CH
3
O
|
IC50 |
= |
4.3 |
nM |
456.51 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(OC6CCOCC6)cc5[nH]4)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3705409 |
assay format |
CHEMBL3676328 |
OBDepict
O
N
N
NH
2
N
H
N
N
N
H
CH
3
H
H
3
C
O
|
IC50 |
= |
4.3 |
nM |
469.55 |
Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(CN6CCOC[C@@H]6C)cc5[nH]4)c3N)ccc2[nH]1 |
Homo sapiens |
CHEMBL3705409 |
assay format |
CHEMBL3701261 |
OBDepict
CH
3
N
O
H
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
4.3 |
nM |
429.48 |
CC#CC(=O)N1CC[C@H](n2cc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3705582 |
single protein format |