molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3653779 |
|
IC50 |
= |
0.0 |
nM |
417.51 |
CC(=O)N(C)Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653842 |
OBDepict
CH
3
N
N
O
N
CH
3
H
H
HN
O
|
IC50 |
= |
0.0 |
nM |
364.45 |
CCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653843 |
OBDepict
O
NH
H
O
CH
3
H
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.0 |
nM |
364.45 |
CC(C)n1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3415598 |
OBDepict
H
3
C
N
HN
N
N
N
N
N
N
H
O
NH
2
H
H
H
2
N
|
IC50 |
= |
0.01 |
nM |
408.47 |
Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(-n2nccn2)n1 |
Homo sapiens |
CHEMBL3420413 |
single protein format |
CHEMBL4744190 |
OBDepict
H
3
C
O
O
N
N
CH
3
N
H
CH
3
N
N
N
N
H
3
C
N
CH
3
H
3
C
|
IC50 |
= |
0.03 |
nM |
434.5 |
COC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL3415583 |
OBDepict
CH
3
N
NH
H
3
C
N
N
H
O
NH
2
H
H
NH
2
|
IC50 |
= |
0.06 |
nM |
354.46 |
Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 |
Homo sapiens |
CHEMBL3420413 |
single protein format |
CHEMBL4780257 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
CH
3
N
OH
|
IC50 |
= |
0.06 |
nM |
447.5 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C)n4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL4776352 |
OBDepict
H
3
C
N
H
3
C
N
N
N
N
N
H
N
H
3
C
S
O
O
H
3
C
|
IC50 |
= |
0.077 |
nM |
449.54 |
CN(C)Cc1cnn(-c2ccnc3[nH]c(-c4cn(C)c5ccc(S(C)(=O)=O)cc45)nc23)c1 |
Homo sapiens |
CHEMBL4669219 |
single protein format |
CHEMBL4753469 |
OBDepict
H
3
C
N
H
O
N
N
N
H
N
N
N
N
N
CH
3
H
3
C
|
IC50 |
= |
0.09 |
nM |
391.44 |
CNC(=O)c1ncn2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL4762995 |
OBDepict
CH
3
N
H
3
C
N
CH
3
N
N
N
N
H
N
H
3
C
N
O
N
CH
3
|
IC50 |
= |
0.098 |
nM |
467.54 |
Cc1nnc(-c2ccc3c(c2)c(-c2nc4c(-n5cc(CN(C)C)c(C)n5)ccnc4[nH]2)cn3C)o1 |
Homo sapiens |
CHEMBL4669219 |
single protein format |
CHEMBL3653847 |
OBDepict
O
NH
H
O
CH
3
H
N
N
N
O
O
CH
3
|
IC50 |
= |
0.1 |
nM |
408.46 |
CC(=O)OCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653846 |
OBDepict
HO
N
N
O
N
H
3
C
H
H
HN
O
|
IC50 |
= |
0.1 |
nM |
366.42 |
C[C@@H](Oc1cc(-c2cnn(CCO)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3898524 |
OBDepict
HO
O
H
H
HO
H
3
C
N
S
N
CH
3
N
H
N
CH
3
F
|
IC50 |
= |
0.1 |
nM |
470.57 |
Cc1cc(Nc2cc(C)c(F)cn2)nc(-c2cnc(C(C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1 |
Homo sapiens |
CHEMBL3887213 |
single protein format |
CHEMBL3415594 |
OBDepict
CH
3
N
N
CH
3
CH
3
N
N
H
N
NH
O
H
2
N
H
H
NH
2
|
IC50 |
= |
0.1 |
nM |
434.55 |
Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(C)c1-c1cnn(C)c1 |
Homo sapiens |
CHEMBL3420413 |
single protein format |
CHEMBL3696047 |
OBDepict
H
3
C
O
H
H
N
H
N
O
N
O
O
CH
3
CH
3
CH
3
|
IC50 |
= |
0.1 |
nM |
435.52 |
CC[C@@H](Oc1nc(-c2ccc(OC(C)C)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3415589 |
OBDepict
CH
3
N
NH
H
3
C
N
N
H
O
NH
2
H
S
H
NH
2
O
O
|
IC50 |
= |
0.1 |
nM |
404.5 |
Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |
Homo sapiens |
CHEMBL3420413 |
single protein format |
CHEMBL3696046 |
OBDepict
H
3
C
O
O
N
H
3
C
CH
3
O
N
CH
3
H
H
N
H
O
|
IC50 |
= |
0.1 |
nM |
421.5 |
COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC(C)C |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3653791 |
OBDepict
O
N
H
H
O
H
3
C
H
N
N
H
O
O
|
IC50 |
= |
0.1 |
nM |
403.44 |
C[C@@H](Oc1cc(-c2ccc3c(c2)COC(=O)N3)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3696005 |
OBDepict
CH
3
O
O
N
O
N
O
H
3
C
H
H
NH
O
|
IC50 |
< |
0.1 |
nM |
463.53 |
COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC1CCOCC1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3653776 |
OBDepict
O
N
H
H
O
H
3
C
H
N
N
N
O
|
IC50 |
= |
0.1 |
nM |
418.5 |
C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3696035 |
OBDepict
CH
3
O
H
H
N
H
N
O
N
O
O
CH
3
H
3
C
|
IC50 |
= |
0.1 |
nM |
407.47 |
CC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3696026 |
OBDepict
CH
3
O
O
CH
3
N
O
N
CH
3
H
H
N
H
O
|
IC50 |
= |
0.1 |
nM |
393.44 |
COc1ccc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3695989 |
OBDepict
O
N
H
H
O
H
3
C
H
N
N
N
N
O
|
IC50 |
= |
0.1 |
nM |
419.49 |
C[C@@H](Oc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3657550 |
OBDepict
CH
3
N
N
N
N
N
HN
H
OH
N
H
3
C
O
|
IC50 |
= |
0.1 |
nM |
471.57 |
Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C3CC3)cn4C)n2)cc1CN1CC[C@@H](O)C1 |
Homo sapiens |
CHEMBL3705866 |
single protein format |
CHEMBL3415606 |
OBDepict
NH
2
O
N
NH
HN
N
H
N
H
H
2
N
N
N
|
IC50 |
= |
0.1 |
nM |
393.46 |
NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(-n2nccn2)n1 |
Homo sapiens |
CHEMBL3420413 |
single protein format |
CHEMBL3657551 |
OBDepict
CH
3
N
N
N
N
N
H
H
OH
N
H
3
C
O
F
F
F
|
IC50 |
= |
0.1 |
nM |
498.51 |
Cc1nn(-c2cccc(Nc3ccc4c(c3)c(C(=O)C(F)(F)F)cn4C)n2)cc1CN1CC[C@@H](O)C1 |
Homo sapiens |
CHEMBL3705866 |
single protein format |
CHEMBL3696044 |
OBDepict
CH
3
O
CH
3
O
H
3
C
N
O
N
CH
3
H
H
N
H
O
|
IC50 |
= |
0.1 |
nM |
407.47 |
COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(C)c1OC |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3696011 |
OBDepict
CH
3
O
O
CH
3
N
O
N
H
F
F
F
HN
O
|
IC50 |
= |
0.1 |
nM |
447.41 |
COc1ccc(-c2cc3ncccc3c(OC([C@H]3CNC(=O)C3)C(F)(F)F)n2)cc1OC |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3696007 |
OBDepict
CH
3
O
H
H
N
H
N
O
N
O
O
CH
3
O
|
IC50 |
= |
0.1 |
nM |
477.56 |
CC[C@@H](Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL4753141 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
O
N
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.11 |
nM |
435.49 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(OC)n4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL4784088 |
OBDepict
CH
3
N
H
3
C
N
CH
3
N
N
N
NH
N
N
H
3
C
N
O
N
CH
3
|
IC50 |
= |
0.13 |
nM |
444.5 |
Cc1nnc(-c2nn(C)c3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL4752008 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
F
N
CH
3
H
3
C
|
IC50 |
= |
0.14 |
nM |
423.46 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(F)n4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL4754597 |
OBDepict
CH
3
N
H
O
N
CH
3
N
N
H
N
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.15 |
nM |
428.5 |
CNC(=O)c1ccc2c(c1)c(-c1nc3c(-n4cc(CN(C)C)cn4)ccnc3[nH]1)cn2C |
Homo sapiens |
CHEMBL4669219 |
single protein format |
CHEMBL4776842 |
OBDepict
CH
3
N
CH
3
N
H
3
C
N
N
N
N
H
N
CH
3
HN
O
H
3
C
|
IC50 |
= |
0.17 |
nM |
442.53 |
CC(=O)Nc1ccc2c(c1)c(-c1nc3c(-n4cc(CN(C)C)c(C)n4)ccnc3[nH]1)cn2C |
Homo sapiens |
CHEMBL4669219 |
single protein format |
CHEMBL4752127 |
OBDepict
H
3
C
HN
O
N
N
CH
3
N
N
H
N
N
N
N
H
3
C
CH
3
|
IC50 |
= |
0.18 |
nM |
429.49 |
CNC(=O)c1cc2c(-c3nc4c(-n5cc(CN(C)C)cn5)ccnc4[nH]3)cn(C)c2cn1 |
Homo sapiens |
CHEMBL4669219 |
single protein format |
CHEMBL4753164 |
OBDepict
CH
3
N
H
3
C
N
CH
3
N
N
N
NH
N
N
H
3
C
N
O
N
CH
3
|
IC50 |
= |
0.19 |
nM |
444.5 |
Cc1nnc(-c2nc(C)n3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL4758052 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
O
H
3
C
H
NH
|
IC50 |
= |
0.19 |
nM |
461.53 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(O[C@@H]5CCCNC5)c(C)n4)n3)cc12 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL4740533 |
OBDepict
H
3
C
N
O
N
N
N
CH
3
N
H
N
N
N
N
N
H
H
3
C
H
H
H
2
N
O
|
IC50 |
= |
0.2 |
nM |
501.56 |
Cc1nnc(-c2nn(C)c3ccc(Nc4nccc(-n5cc(N[C@@H]6CCOC[C@@H]6N)c(C)n5)n4)cc23)o1 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL3695979 |
OBDepict
H
3
C
O
O
CH
3
O
N
CH
3
O
N
CH
3
H
H
N
H
O
|
IC50 |
= |
0.2 |
nM |
423.47 |
COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3653813 |
OBDepict
O
N
H
H
O
CH
3
H
N
S
N
CH
3
|
IC50 |
= |
0.2 |
nM |
403.51 |
Cc1nc2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)cc2s1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653814 |
OBDepict
O
N
H
H
O
CH
3
H
N
Cl
NH
2
|
IC50 |
= |
0.2 |
nM |
421.93 |
C[C@@H](Oc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653833 |
OBDepict
O
N
H
H
O
H
3
C
H
N
N
N
H
3
C
H
3
C
|
IC50 |
= |
0.2 |
nM |
400.48 |
Cc1nc2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1C |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL4792651 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
H
N
CH
3
H
F
|
IC50 |
= |
0.2 |
nM |
449.49 |
CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc([C@@H]5C[C@@H](F)CN5C)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL3696058 |
OBDepict
O
N
H
H
O
H
3
C
H
N
N
|
IC50 |
= |
0.2 |
nM |
333.39 |
C[C@@H](Oc1nc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3653775 |
OBDepict
O
N
H
H
O
CH
3
H
N
N
N
H
3
C
|
IC50 |
= |
0.2 |
nM |
336.4 |
C[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3696023 |
OBDepict
H
3
C
O
O
H
H
HN
N
O
N
O
O
CH
3
CH
3
|
IC50 |
= |
0.2 |
nM |
437.5 |
COCC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3696013 |
OBDepict
CH
3
O
O
CH
3
N
O
N
H
H
F
F
F
N
H
O
|
IC50 |
= |
0.2 |
nM |
447.41 |
COc1ccc(-c2cc3ncccc3c(O[C@@H]([C@H]3CNC(=O)C3)C(F)(F)F)n2)cc1OC |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3653796 |
OBDepict
CH
3
N
O
H
3
C
O
N
CH
3
H
H
N
H
O
|
IC50 |
= |
0.2 |
nM |
431.54 |
CCN(Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1)C(C)=O |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653806 |
OBDepict
CH
3
N
N
O
N
H
3
C
H
H
NH
O
|
IC50 |
= |
0.2 |
nM |
350.42 |
CCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3415597 |
OBDepict
CH
3
N
N
HN
O
N
OH
H
3
C
H
3
C
N
H
O
NH
2
H
H
H
2
N
|
IC50 |
= |
0.2 |
nM |
429.53 |
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)cc(OCC(C)(C)O)n1 |
Homo sapiens |
CHEMBL3420413 |
single protein format |
CHEMBL4740065 |
OBDepict
H
N
N
N
N
N
N
H
3
C
N
H
H
H
H
2
N
O
|
IC50 |
= |
0.21 |
nM |
428.5 |
Cn1ccc2c(-c3nc4c(-n5cc(N[C@@H]6CCOC[C@@H]6N)cn5)ccnc4[nH]3)cccc21 |
Homo sapiens |
CHEMBL4669219 |
single protein format |
CHEMBL4786316 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
N
CH
3
H
3
C
|
IC50 |
= |
0.21 |
nM |
405.47 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL4759636 |
OBDepict
CH
3
N
H
3
C
N
CH
3
N
N
N
NH
N
N
N
O
N
CH
3
|
IC50 |
= |
0.21 |
nM |
430.48 |
Cc1nnc(-c2ncn3ccc(Nc4nccc(-c5cc(CN(C)C)n(C)n5)n4)cc23)o1 |
Homo sapiens |
CHEMBL4669219 |
single protein format |
CHEMBL4762290 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
CH
3
N
N
N
N
N
CH
3
H
3
C
|
IC50 |
= |
0.22 |
nM |
419.49 |
CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL3942835 |
OBDepict
NH
2
O
N
N
N
NH
N
H
H
N
H
NH
2
F
F
|
IC50 |
= |
0.22 |
nM |
416.44 |
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2c1ccn2C(F)F |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL4797815 |
OBDepict
CH
3
N
N
N
H
N
H
H
NH
2
N
NH
O
N
H
3
C
O
F
F
F
|
IC50 |
= |
0.22 |
nM |
514.51 |
Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C(F)(F)F)cn4C)n2)cc1N[C@@H]1CCOC[C@@H]1N |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL4785413 |
OBDepict
NH
2
N
H
N
N
N
N
N
H
N
N
CH
3
N
H
O
H
3
C
|
IC50 |
= |
0.23 |
nM |
406.45 |
CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(NCCN)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL3951701 |
OBDepict
CH
3
N
N
HN
N
N
N
N
H
O
NH
2
H
H
H
2
N
|
IC50 |
= |
0.23 |
nM |
457.54 |
Cn1cc2cc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cc(-c3ccccc3)c2n1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL4800498 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
N
CH
3
H
3
C
|
IC50 |
= |
0.24 |
nM |
405.47 |
CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL4784783 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
H
N
CH
3
H
HO
|
IC50 |
= |
0.24 |
nM |
447.5 |
CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc([C@@H]5C[C@H](O)CN5C)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL4790107 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
CH
3
N
N
N
N
H
3
C
N
CH
3
H
3
C
|
IC50 |
= |
0.26 |
nM |
433.52 |
CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12 |
Homo sapiens |
CHEMBL4675674 |
single protein format |
CHEMBL3985707 |
OBDepict
CH
3
N
N
CH
3
N
H
N
N
N
NH
O
H
2
N
H
H
NH
2
|
IC50 |
= |
0.26 |
nM |
395.47 |
Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc2nn(C)cc12 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3966264 |
OBDepict
CH
3
N
N
N
HN
N
N
N
N
H
O
NH
2
H
H
H
2
N
|
IC50 |
= |
0.26 |
nM |
446.52 |
Cn1cc(-n2ccc3c(Nc4nc(N[C@@H]5CCCC[C@@H]5N)nnc4C(N)=O)cccc32)cn1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3925148 |
OBDepict
NH
2
O
N
N
NH
N
HN
H
H
H
2
N
S
|
IC50 |
= |
0.26 |
nM |
383.48 |
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc2sccc2c1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3928419 |
OBDepict
CH
3
O
S
H
3
C
N
H
N
N
N
N
H
O
NH
2
H
H
H
2
N
|
IC50 |
= |
0.27 |
nM |
427.53 |
COc1ccc2sc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)c(C)c2c1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3903852 |
OBDepict
H
2
N
O
N
N
N
H
N
HN
S
H
H
H
2
N
|
IC50 |
= |
0.28 |
nM |
383.48 |
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cc2ccccc2s1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3927595 |
OBDepict
NH
2
O
N
N
N
N
H
N
H
S
H
H
NH
2
|
IC50 |
= |
0.29 |
nM |
409.52 |
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cc(-c2ccccc2)cs1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3942131 |
OBDepict
NH
2
O
N
N
N
HN
NH
S
H
H
NH
2
|
IC50 |
= |
0.29 |
nM |
383.48 |
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1csc2ccccc12 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL4109655 |
OBDepict
CH
3
O
H
2
N
H
NH
CH
3
H
N
N
N
N
H
O
H
2
N
N
N
CH
3
|
IC50 |
= |
0.29 |
nM |
461.53 |
COC[C@H](N)[C@@H](C)Nc1nnc(C(N)=O)c(Nc2cc(-c3ccccc3)c3nn(C)cc3c2)n1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3653822 |
OBDepict
O
N
H
H
O
CH
3
H
N
N
N
H
3
C
|
IC50 |
= |
0.3 |
nM |
386.46 |
C[C@@H](Oc1cc(-c2ccc3c(c2)ncn3C)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3696033 |
OBDepict
H
3
C
O
H
HN
N
O
N
O
O
CH
3
CH
3
|
IC50 |
= |
0.3 |
nM |
407.47 |
CCC(Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL4776734 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
N
H
H
3
C
H
N
H
H
F
|
IC50 |
= |
0.3 |
nM |
464.51 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@H]5CNC[C@@H]5F)c(C)n4)n3)cc12 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL3653771 |
OBDepict
O
N
H
H
O
CH
3
H
N
N
O
|
IC50 |
= |
0.3 |
nM |
431.54 |
C[C@@H](Oc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653769 |
OBDepict
O
N
H
H
O
CH
3
H
N
N
N
H
|
IC50 |
= |
0.3 |
nM |
372.43 |
C[C@@H](Oc1cc(-c2ccc3[nH]cnc3c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653816 |
OBDepict
CH
3
O
N
O
N
H
3
C
H
H
N
H
O
|
IC50 |
= |
0.3 |
nM |
363.42 |
COc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)nc1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653797 |
OBDepict
H
3
C
O
N
O
N
H
3
C
H
H
N
H
O
|
IC50 |
= |
0.3 |
nM |
377.44 |
CCOc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3695985 |
OBDepict
CH
3
O
H
H
N
H
N
O
N
O
O
CH
3
O
CH
3
H
3
C
|
IC50 |
= |
0.3 |
nM |
437.5 |
CC[C@@H](Oc1nc(-c2cc(OC)c(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3696014 |
OBDepict
CH
3
O
O
CH
3
N
O
N
H
O
N
H
O
|
IC50 |
= |
0.3 |
nM |
381.39 |
COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)O3)n2)cc1OC |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL3653783 |
OBDepict
O
N
H
H
O
H
3
C
H
N
N
O
|
IC50 |
= |
0.3 |
nM |
443.55 |
C[C@@H](Oc1cc(-c2ccc(CN3CCCCC3=O)cc2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3653758 |
OBDepict
O
N
H
H
O
H
3
C
H
N
N
|
IC50 |
= |
0.3 |
nM |
383.45 |
C[C@@H](Oc1cc(-c2ccc3ncccc3c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
Homo sapiens |
CHEMBL3706124 |
single protein format |
CHEMBL3696024 |
OBDepict
CH
3
O
O
CH
3
N
O
N
CH
3
H
N
H
O
|
IC50 |
= |
0.3 |
nM |
393.44 |
COc1ccc(-c2cc3ncccc3c(O[C@@H](C)C3CNC(=O)C3)n2)cc1OC |
Homo sapiens |
CHEMBL3705989 |
single protein format |
CHEMBL4751083 |
OBDepict
H
3
C
N
H
O
N
N
CH
3
N
H
N
N
N
N
H
3
C
N
CH
3
H
3
C
|
IC50 |
= |
0.31 |
nM |
419.49 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN(C)C)c(C)n4)n3)cc12 |
Homo sapiens |
CHEMBL4669219 |
single protein format |
CHEMBL3977902 |
OBDepict
CH
3
N
N
N
H
N
N
N
NH
O
H
2
N
H
H
NH
2
|
IC50 |
= |
0.31 |
nM |
409.5 |
CCn1cc2ccc(Nc3nc(N[C@@H]4CCCCC[C@@H]4N)nnc3C(N)=O)cc2n1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3935081 |
OBDepict
H
3
C
NH
N
CH
3
N
N
N
N
H
O
NH
2
H
H
NH
2
|
IC50 |
= |
0.33 |
nM |
394.48 |
Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c2ccn(C)c2c1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3937625 |
OBDepict
H
2
N
O
N
N
N
HN
N
H
H
N
N
H
H
2
N
F
F
|
IC50 |
= |
0.33 |
nM |
417.42 |
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2nn(C(F)F)cc12 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3954832 |
OBDepict
NH
2
O
N
N
HN
N
N
H
H
CH
3
H
H
2
N
N
|
IC50 |
= |
0.33 |
nM |
392.47 |
Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc2cccnc12 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL4786007 |
OBDepict
CH
3
HN
O
N
N
CH
3
N
H
N
N
N
N
N
H
H
H
H
2
N
O
|
IC50 |
= |
0.33 |
nM |
462.52 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL4748041 |
OBDepict
CH
3
N
H
O
N
N
CH
3
N
H
N
N
N
N
N
H
H
3
C
NH
2
|
IC50 |
= |
0.34 |
nM |
446.52 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(NCC5(N)CC5)c(C)n4)n3)cc12 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL4106524 |
OBDepict
H
3
C
O
H
2
N
H
NH
CH
3
H
N
N
N
N
H
O
H
2
N
CH
3
N
N
CH
3
CH
3
|
IC50 |
= |
0.34 |
nM |
427.51 |
COC[C@H](N)[C@@H](C)Nc1nnc(C(N)=O)c(Nc2cc(C)c3c(cnn3C(C)C)c2)n1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL4742918 |
OBDepict
CH
3
HN
O
N
N
CH
3
N
H
N
N
N
N
N
H
H
3
C
H
H
H
2
N
O
|
IC50 |
= |
0.34 |
nM |
476.55 |
CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)c(C)n4)n3)cc12 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL4106498 |
OBDepict
H
3
C
O
H
2
N
H
NH
CH
3
H
N
N
N
N
H
O
H
2
N
CH
3
N
CH
3
|
IC50 |
= |
0.35 |
nM |
398.47 |
COC[C@H](N)[C@@H](C)Nc1nnc(C(N)=O)c(Nc2cc(C)cc3c2ccn3C)n1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3964579 |
OBDepict
CH
3
H
2
N
H
HN
N
N
N
N
H
O
NH
2
S
|
IC50 |
= |
0.35 |
nM |
357.44 |
CC[C@H](N)CNc1nnc(C(N)=O)c(Nc2cccc3sccc23)n1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL4763433 |
OBDepict
CH
3
HN
O
N
N
CH
3
N
H
N
N
N
N
N
H
H
H
H
2
N
O
|
IC50 |
= |
0.36 |
nM |
462.52 |
CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)n3)cc12 |
Homo sapiens |
CHEMBL4701487 |
single protein format |
CHEMBL3916136 |
OBDepict
H
2
N
O
N
N
N
H
N
HN
H
N
H
H
2
N
N
F
F
|
IC50 |
= |
0.36 |
nM |
417.42 |
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc2cnn(C(F)F)c2c1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3915461 |
OBDepict
NH
2
O
N
N
N
NH
N
H
H
N
H
NH
2
CH
3
|
IC50 |
= |
0.36 |
nM |
380.46 |
Cn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc21 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3956355 |
OBDepict
CH
3
N
N
N
NH
N
N
N
N
H
O
NH
2
H
H
NH
2
|
IC50 |
= |
0.36 |
nM |
446.52 |
Cn1ccc(-n2ccc3c(Nc4nc(N[C@@H]5CCCC[C@@H]5N)nnc4C(N)=O)cccc32)n1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3962569 |
OBDepict
H
2
N
O
N
N
N
H
N
HN
H
H
3
C
H
H
2
N
N
N
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
0.37 |
nM |
439.52 |
Cc1cc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)cc2cn(C(C)(C)C)nc12 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3980587 |
OBDepict
H
2
N
O
N
N
N
H
N
HN
H
H
3
C
H
H
2
N
N
N
F
F
|
IC50 |
= |
0.37 |
nM |
431.45 |
Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc2cn(C(F)F)nc12 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3891798 |
OBDepict
H
2
N
O
N
N
N
H
N
HN
H
H
3
C
H
H
2
N
S
O
|
IC50 |
= |
0.37 |
nM |
399.48 |
Cc1cc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)cc2ccsc12 |
Homo sapiens |
CHEMBL3887308 |
single protein format |
CHEMBL3915963 |
OBDepict
H
3
C
N
N
N
N
N
H
N
N
N
HN
O
NH
2
H
H
H
2
N
|
IC50 |
= |
0.37 |
nM |
461.53 |
CCn1cc2cc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cc(-n3cccn3)c2n1 |
Homo sapiens |
CHEMBL3887308 |
single protein format |