molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2023485 |
|
IC50 |
< |
0.3 |
nM |
462.51 |
CCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)n[nH]1 |
Homo sapiens |
CHEMBL2027407 |
single protein format |
CHEMBL489684 |
OBDepict
CH
3
O
N
H
O
N
O
N
N
NH
CH
3
N
H
3
C
|
IC50 |
= |
0.3 |
nM |
512.61 |
CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc32)cc1 |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL1171604 |
OBDepict
N
N
N
H
N
H
O
N
N
H
3
C
H
3
C
CH
3
H
3
C
O
|
IC50 |
= |
0.3 |
nM |
446.56 |
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCC(C)(C)CC3)c2)CN(C)C1=O |
Homo sapiens |
CHEMBL1174608 |
single protein format |
CHEMBL438533 |
OBDepict
N
O
N
H
O
N
CH
3
NH
|
IC50 |
= |
0.3 |
nM |
392.5 |
CC1CCN(c2cc(C3CCNCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1 |
Homo sapiens |
CHEMBL933669 |
single protein format |
CHEMBL492809 |
OBDepict
CH
3
O
NH
O
N
O
N
N
N
H
N
CH
3
|
IC50 |
= |
0.4 |
nM |
524.63 |
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL521580 |
OBDepict
H
3
C
O
N
H
O
N
O
N
N
NH
CH
3
CH
3
N
H
3
C
|
IC50 |
= |
0.4 |
nM |
518.66 |
CONC(=O)c1cn(C2CCC(C)(C)CC2)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL3349454 |
OBDepict
N
N
N
N
CH
3
CH
3
N
H
O
N
N
CH
3
H
3
C
H
N
|
IC50 |
= |
0.4 |
nM |
470.58 |
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCC(C)(C)CC3)c2)CN(C)C1=NC#N |
Homo sapiens |
CHEMBL1174608 |
single protein format |
CHEMBL489881 |
OBDepict
CH
3
O
N
H
O
N
O
N
N
NH
CH
3
N
H
3
C
|
IC50 |
= |
0.4 |
nM |
512.61 |
CCc1cccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc32)c1 |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL402337 |
OBDepict
N
N
N
H
N
H
O
CH
3
HN
|
IC50 |
= |
0.4 |
nM |
389.5 |
CC1CC=C(c2cc(C3CCNCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 |
Homo sapiens |
CHEMBL933669 |
single protein format |
CHEMBL509044 |
OBDepict
CH
3
N
N
HN
N
N
N
O
NH
O
O
CH
3
H
3
C
|
IC50 |
= |
0.5 |
nM |
581.72 |
CC(C)ONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL4084391 |
OBDepict
CH
3
N
N
N
N
H
O
CH
3
NH
O
F
F
F
|
IC50 |
= |
0.5 |
nM |
479.46 |
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncc(-c2cnn(C)c2)c1 |
Homo sapiens |
CHEMBL4017683 |
single protein format |
CHEMBL1170784 |
OBDepict
N
N
N
H
N
H
O
O
N
O
H
3
C
|
IC50 |
= |
0.5 |
nM |
417.47 |
CN1C(=O)CC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1=O |
Homo sapiens |
CHEMBL1174608 |
single protein format |
CHEMBL1170786 |
OBDepict
N
N
N
H
N
H
O
N
N
CH
3
H
3
C
O
|
IC50 |
= |
0.5 |
nM |
418.5 |
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CN(C)C1=O |
Homo sapiens |
CHEMBL1174608 |
single protein format |
CHEMBL489298 |
OBDepict
H
3
C
O
HN
O
N
O
N
N
HN
NH
|
IC50 |
= |
0.5 |
nM |
510.6 |
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCNCC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL4068526 |
OBDepict
CH
3
N
N
F
F
F
NH
O
N
H
CH
3
O
N
N
H
|
IC50 |
< |
0.5 |
nM |
576.62 |
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cccc(-c2cn[nH]c2)c1 |
Homo sapiens |
CHEMBL4017683 |
single protein format |
CHEMBL451575 |
OBDepict
CH
3
O
HN
O
N
O
N
N
N
H
N
N
CH
3
|
IC50 |
= |
0.5 |
nM |
567.69 |
CCONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL4282165 |
OBDepict
CH
3
O
HN
CH
3
CH
3
N
H
O
N
N
CH
3
H
3
C
H
N
ClH
|
IC50 |
= |
0.51 |
nM |
472.03 |
COCCNC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1.Cl |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL4294553 |
OBDepict
OH
O
F
F
F
N
N
N
H
N
H
O
N
CH
3
H
3
C
H
3
C
CH
3
|
IC50 |
= |
0.6 |
nM |
545.61 |
CC1(C)CC=C(c2cc(C(C)(C)N3CCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL3086320 |
OBDepict
CH
3
O
HN
CH
3
CH
3
N
H
O
N
N
CH
3
H
3
C
H
N
|
IC50 |
= |
0.6 |
nM |
435.57 |
COCCNC(C)(C)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL3085973 |
OBDepict
CH
3
O
N
H
CH
3
CH
3
N
H
O
N
N
CH
3
H
3
C
H
N
|
IC50 |
= |
0.6 |
nM |
449.6 |
COCCNCC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL3937254 |
OBDepict
N
N
N
H
N
H
O
H
3
C
N
H
3
C
CH
3
H
3
C
|
IC50 |
= |
0.6 |
nM |
431.58 |
CC1=C(c2cc(C(C)(C)N3CCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CCCC1C |
Homo sapiens |
CHEMBL3887764 |
single protein format |
CHEMBL398237 |
OBDepict
OH
N
N
N
N
H
O
O
CH
3
N
|
IC50 |
= |
0.6 |
nM |
437.54 |
CC1CCN(c2cc(N3CCN(CCO)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1 |
Homo sapiens |
CHEMBL927234 |
cell-based format |
CHEMBL2158300 |
OBDepict
N
N
N
H
N
H
O
N
O
H
2
N
H
3
C
CH
3
|
IC50 |
= |
0.62 |
nM |
474.61 |
CC(C)(N)CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL3958194 |
OBDepict
N
N
N
H
O
O
N
H
O
N
H
H
3
C
H
3
C
NH
O
H
3
C
CH
3
CH
3
|
IC50 |
= |
0.68 |
nM |
506.61 |
CC(=O)NCCNC(C)(C)c1ccc(C(=O)NOC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1 |
Homo sapiens |
CHEMBL3887764 |
single protein format |
CHEMBL3086324 |
OBDepict
OH
N
N
CH
3
H
3
C
N
H
O
N
N
H
3
C
CH
3
H
N
ClH
|
IC50 |
= |
0.69 |
nM |
527.11 |
CC1(C)CC=C(c2cc(C(C)(C)N3CCN(CCO)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.Cl |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL1908842 |
OBDepict
N
N
N
H
N
H
O
N
O
N
H
3
C
CH
3
|
IC50 |
= |
0.69 |
nM |
460.58 |
CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL451918 |
OBDepict
HO
N
H
O
N
O
N
N
N
H
N
N
CH
3
|
IC50 |
= |
0.7 |
nM |
567.69 |
CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(=O)NCCO)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1 |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL505830 |
OBDepict
CH
3
O
HN
O
N
O
N
N
N
H
N
N
CH
3
|
IC50 |
= |
0.7 |
nM |
553.67 |
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL3085833 |
OBDepict
OH
N
N
CH
3
H
3
C
N
H
O
N
N
H
3
C
CH
3
H
N
|
IC50 |
= |
0.7 |
nM |
490.65 |
CC1(C)CC=C(c2cc(C(C)(C)N3CCN(CCO)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL2158302 |
OBDepict
HO
HN
N
O
N
H
O
N
N
H
N
|
IC50 |
= |
0.7 |
nM |
462.55 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)NCCO)CC3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL252822 |
OBDepict
N
O
N
H
O
N
N
S
O
O
|
IC50 |
= |
0.7 |
nM |
428.51 |
N#Cc1ccc(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2N2CCCCC2)o1 |
Homo sapiens |
CHEMBL927234 |
cell-based format |
CHEMBL254909 |
OBDepict
N
N
H
N
H
O
N
N
CH
3
N
O
CH
3
|
IC50 |
= |
0.7 |
nM |
434.54 |
CC(=O)N1CCN(c2ccc(NC(=O)c3cc(C#N)c[nH]3)c(N3CCC(C)CC3)c2)CC1 |
Homo sapiens |
CHEMBL927234 |
cell-based format |
CHEMBL3085977 |
OBDepict
N
N
N
H
N
H
O
N
H
CH
3
H
3
C
N
H
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
0.7 |
nM |
462.6 |
CC(=O)NCCNC(C)(C)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL4576115 |
OBDepict
Cl
N
H
O
CH
3
H
2
N
N
N
N
CH
3
|
IC50 |
= |
0.7 |
nM |
441.92 |
Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N |
Homo sapiens |
CHEMBL4325582 |
single protein format |
CHEMBL445519 |
OBDepict
CH
3
O
HN
O
N
O
N
N
N
H
F
F
N
H
3
C
|
IC50 |
= |
0.7 |
nM |
560.61 |
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(C)CC4(F)F)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL4295208 |
OBDepict
OH
O
F
F
F
OH
N
N
HN
O
N
N
H
3
C
H
3
C
H
N
|
IC50 |
= |
0.75 |
nM |
576.62 |
CC1(C)CC=C(c2cc(CN3CCN(CCO)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL254702 |
OBDepict
N
N
H
N
H
O
N
N
CH
3
N
H
3
C
|
IC50 |
= |
0.78 |
nM |
406.53 |
CC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL927234 |
cell-based format |
CHEMBL3085978 |
OBDepict
N
N
N
H
NH
O
N
CH
3
CH
3
O
|
IC50 |
= |
0.8 |
nM |
433.56 |
CC1(C)CC=C(c2cc(CCN3CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL3085984 |
OBDepict
HO
N
N
NH
O
N
N
CH
3
CH
3
H
N
|
IC50 |
= |
0.8 |
nM |
462.6 |
CC1(C)CC=C(c2cc(CN3CCN(CCO)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL448339 |
OBDepict
H
3
C
O
NH
O
N
O
N
N
HN
HO
N
CH
3
|
IC50 |
= |
0.8 |
nM |
554.65 |
CCN1CCCC(O)(c2cccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)c2)C1 |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL398509 |
OBDepict
N
O
N
H
O
N
N
N
H
3
C
|
IC50 |
= |
0.8 |
nM |
393.49 |
CN1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCCCC3)c2)CC1 |
Homo sapiens |
CHEMBL927234 |
cell-based format |
CHEMBL1171385 |
OBDepict
N
N
N
H
N
H
O
H
3
C
CH
3
O
HN
O
|
IC50 |
= |
0.8 |
nM |
431.5 |
CC1(C)CC=C(c2cc(C3CC(=O)NC(=O)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL1174608 |
single protein format |
CHEMBL508935 |
OBDepict
CH
3
O
HN
O
N
O
N
N
N
H
N
N
O
CH
3
|
IC50 |
= |
0.8 |
nM |
567.65 |
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)C(=O)C4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL448117 |
OBDepict
CH
3
O
HN
O
N
O
N
N
N
H
N
N
H
O
|
IC50 |
= |
0.8 |
nM |
553.62 |
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCNC(=O)C4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL257620 |
OBDepict
N
O
N
H
O
N
CH
3
N
O
CH
3
|
IC50 |
= |
0.8 |
nM |
434.54 |
CC(=O)N1CCC(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCC(C)CC3)c2)CC1 |
Homo sapiens |
CHEMBL933669 |
single protein format |
CHEMBL4294739 |
OBDepict
N
N
N
H
HN
O
N
H
3
C
H
3
C
O
ClH
|
IC50 |
= |
0.8 |
nM |
470.02 |
CC1(C)CC=C(c2cc(CCN3CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.Cl |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL4292129 |
OBDepict
OH
O
F
F
F
N
N
N
H
N
H
O
O
CH
3
H
3
C
N
CH
3
CH
3
H
3
C
CH
3
|
IC50 |
= |
0.8 |
nM |
563.62 |
CN(C)CCOC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL255443 |
OBDepict
N
O
N
H
O
N
CH
3
NH
|
IC50 |
= |
0.8 |
nM |
390.49 |
CC1CCN(c2cc(C3=CCNCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1 |
Homo sapiens |
CHEMBL933669 |
single protein format |
CHEMBL4758092 |
OBDepict
H
3
C
O
N
O
S
N
H
N
H
H
OH
N
HN
N
N
H
|
IC50 |
= |
0.8 |
nM |
467.56 |
COc1cc(OCc2ccnc(Nc3cn[nH]c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |
Homo sapiens |
CHEMBL4728927 |
single protein format |
CHEMBL4280188 |
OBDepict
OH
O
F
F
F
N
N
N
H
NH
O
N
CH
3
CH
3
HN
|
IC50 |
= |
0.82 |
nM |
532.57 |
CC1(C)CC=C(c2cc(CN3CCNCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL3660802 |
OBDepict
N
N
N
H
HN
O
N
H
3
C
H
3
C
NH
|
IC50 |
= |
0.82 |
nM |
418.55 |
CC1(C)CC=C(c2cc(CN3CCNCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL3887764 |
single protein format |
CHEMBL2158288 |
OBDepict
OH
NH
N
O
N
H
O
N
N
H
N
|
IC50 |
= |
0.83 |
nM |
476.58 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)CNCCO)CC3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL1171605 |
OBDepict
N
N
N
H
N
H
O
N
N
CH
3
CH
3
O
|
IC50 |
= |
0.9 |
nM |
432.53 |
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCCC3)c2)CN(C)C1=O |
Homo sapiens |
CHEMBL1174608 |
single protein format |
CHEMBL4085366 |
OBDepict
CH
3
N
N
N
N
H
O
CH
3
N
NH
O
F
F
F
|
IC50 |
= |
0.9 |
nM |
480.45 |
Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncc(-c2cnn(C)c2)c1 |
Homo sapiens |
CHEMBL4017683 |
single protein format |
CHEMBL254910 |
OBDepict
N
O
N
H
O
N
N
CH
3
N
S
O
O
CH
3
|
IC50 |
= |
0.9 |
nM |
471.58 |
CC1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1 |
Homo sapiens |
CHEMBL927234 |
cell-based format |
CHEMBL3085828 |
OBDepict
N
N
N
H
HN
O
N
CH
3
H
3
C
O
H
3
C
H
3
C
|
IC50 |
= |
0.9 |
nM |
447.58 |
CC1(C)CC=C(c2cc(C(C)(C)N3CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL3705040 |
OBDepict
N
N
N
H
HN
O
N
CH
3
H
3
C
N
O
OH
H
3
C
H
3
C
|
IC50 |
= |
0.93 |
nM |
504.64 |
CC1(C)CC=C(c2cc(C(C)(C)N3CCN(CC(=O)O)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL3887764 |
single protein format |
CHEMBL4286584 |
OBDepict
N
N
N
H
HN
O
N
CH
3
H
3
C
N
O
_
O
H
3
C
H
3
C
+
Na
|
IC50 |
= |
0.93 |
nM |
512.59 |
CC1(C)CC=C(c2cc(C(C)(C)N3CCN(C(=O)[O-])CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.[Na+] |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL4763875 |
OBDepict
NH
2
N
Cl
O
F
S
N
N
H
H
H
HO
|
IC50 |
= |
1.0 |
nM |
422.91 |
Nc1nccc(COc2cc(F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |
Homo sapiens |
CHEMBL4728927 |
single protein format |
CHEMBL2158289 |
OBDepict
OH
N
CH
3
N
O
HN
O
N
N
H
N
|
IC50 |
= |
1.0 |
nM |
490.61 |
CN(CCO)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL252436 |
OBDepict
N
O
N
H
O
N
N
CH
3
N
H
3
C
|
IC50 |
= |
1.0 |
nM |
407.52 |
CC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1 |
Homo sapiens |
CHEMBL927234 |
cell-based format |
CHEMBL452664 |
OBDepict
H
3
C
O
N
H
N
N
H
N
CH
3
H
3
C
O
H
2
N
Cl
Cl
|
IC50 |
< |
1.0 |
nM |
448.35 |
COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCCN(C)C |
Homo sapiens |
CHEMBL991297 |
assay format |
CHEMBL3673440 |
OBDepict
H
3
C
O
O
O
H
3
C
N
NH
2
N
N
P
O
CH
3
CH
3
|
IC50 |
= |
1.0 |
nM |
542.58 |
COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccc(P(C)(C)=O)nc5)ccc43)cc2OC)cc1 |
Homo sapiens |
CHEMBL3705886 |
single protein format |
CHEMBL4751287 |
OBDepict
NH
2
N
Cl
O
Cl
S
N
N
H
H
H
HO
|
IC50 |
= |
1.0 |
nM |
439.37 |
Nc1nccc(COc2cc(Cl)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |
Homo sapiens |
CHEMBL4728927 |
single protein format |
CHEMBL3969260 |
OBDepict
Cl
N
H
N
HN
H
3
C
O
S
N
N
H
2
N
|
IC50 |
= |
1.0 |
nM |
460.95 |
Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 |
Homo sapiens |
CHEMBL3887351 |
single protein format |
CHEMBL257154 |
OBDepict
N
N
N
H
N
H
O
NH
|
IC50 |
= |
1.0 |
nM |
375.48 |
N#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)[nH]1 |
Homo sapiens |
CHEMBL933669 |
single protein format |
CHEMBL1171777 |
OBDepict
N
N
N
H
N
H
O
O
HN
O
|
IC50 |
= |
1.0 |
nM |
403.44 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL1174608 |
single protein format |
CHEMBL4095856 |
OBDepict
CH
3
N
N
F
F
F
NH
O
N
H
CH
3
O
N
N
CH
3
|
IC50 |
= |
1.0 |
nM |
590.65 |
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cccc(-c2cnn(C)c2)c1 |
Homo sapiens |
CHEMBL4017683 |
single protein format |
CHEMBL254908 |
OBDepict
N
N
H
N
H
O
N
N
CH
3
HN
|
IC50 |
= |
1.0 |
nM |
392.51 |
CC1CCN(c2cc(N3CCNCC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL927234 |
cell-based format |
CHEMBL3660762 |
OBDepict
N
N
N
H
HN
O
N
CH
3
H
3
C
+
S
_
O
H
3
C
H
3
C
|
IC50 |
= |
1.1 |
nM |
479.65 |
CC1(C)CC=C(c2cc(C(C)(C)N3CC[S+]([O-])CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1 |
Homo sapiens |
CHEMBL3887764 |
single protein format |
CHEMBL4798876 |
OBDepict
NH
2
N
Cl
O
S
N
N
H
H
H
OH
|
IC50 |
= |
1.1 |
nM |
404.92 |
Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@H]4O)sc3c2)c1Cl |
Homo sapiens |
CHEMBL4728927 |
single protein format |
CHEMBL2158221 |
OBDepict
OH
O
F
F
F
N
N
N
H
N
H
O
HN
|
IC50 |
= |
1.1 |
nM |
489.5 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)n1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL2158293 |
OBDepict
N
N
N
H
N
H
O
N
O
N
N
H
|
IC50 |
= |
1.1 |
nM |
483.58 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)Cc4c[nH]cn4)CC3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL2158225 |
OBDepict
OH
N
N
H
O
N
N
H
N
|
IC50 |
= |
1.1 |
nM |
419.53 |
N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCO)CC3)cc2C2=CCCCC2)[nH]1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL2158230 |
OBDepict
N
N
N
H
N
H
O
N
N
O
|
IC50 |
= |
1.1 |
nM |
488.64 |
N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL4795462 |
OBDepict
NH
2
N
Cl
O
F
S
N
N
H
H
H
HO
|
IC50 |
= |
1.1 |
nM |
422.91 |
Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2F)c1Cl |
Homo sapiens |
CHEMBL4728927 |
single protein format |
CHEMBL4798601 |
OBDepict
NH
2
N
Cl
O
Cl
S
N
N
H
H
H
HO
|
IC50 |
= |
1.2 |
nM |
439.37 |
Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2Cl)c1Cl |
Homo sapiens |
CHEMBL4728927 |
single protein format |
CHEMBL4740157 |
OBDepict
H
3
C
O
N
O
S
Cl
N
H
N
H
H
OH
N
HN
N
N
H
3
C
|
IC50 |
= |
1.2 |
nM |
516.03 |
COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12 |
Homo sapiens |
CHEMBL4728927 |
single protein format |
CHEMBL511484 |
OBDepict
CH
3
HN
O
N
O
N
N
N
H
N
N
CH
3
|
IC50 |
= |
1.2 |
nM |
537.67 |
CNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL2158287 |
OBDepict
OH
HO
H
N
O
N
H
O
N
N
H
N
|
IC50 |
= |
1.2 |
nM |
463.54 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)[C@H](O)CO)CC3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL4868857 |
OBDepict
CH
3
HN
O
N
O
S
N
N
H
H
H
HO
|
IC50 |
= |
1.2 |
nM |
398.49 |
CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@H]4O)sc3c2)ccn1 |
Homo sapiens |
CHEMBL4816272 |
single protein format |
CHEMBL3086317 |
OBDepict
N
N
N
H
N
H
O
O
CH
3
H
3
C
N
H
3
C
CH
3
|
IC50 |
= |
1.2 |
nM |
475.64 |
CC1(C)CC=C(c2cc(C(C)(C)OCCN3CCCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL4794404 |
OBDepict
H
3
C
N
N
N
H
O
N
S
CH
3
N
H
N
N
|
IC50 |
= |
1.2 |
nM |
473.61 |
Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 |
Homo sapiens |
CHEMBL4774743 |
single protein format |
CHEMBL4227505 |
OBDepict
CH
3
HN
O
N
O
S
N
N
H
H
H
HO
|
IC50 |
= |
1.2 |
nM |
398.49 |
CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |
Homo sapiens |
CHEMBL4220344 |
single protein format |
CHEMBL3085976 |
OBDepict
N
N
N
H
NH
O
N
H
H
3
C
CH
3
N
O
CH
3
CH
3
|
IC50 |
= |
1.2 |
nM |
490.65 |
CC1(C)CC=C(c2cc(C(C)(C)NCCN3CCOCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL3660791 |
OBDepict
CH
3
O
N
H
CH
2
N
H
O
N
N
H
N
|
IC50 |
= |
1.3 |
nM |
405.5 |
C=C(CNCCOC)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCCCC2)c1 |
Homo sapiens |
CHEMBL3887764 |
single protein format |
CHEMBL2158301 |
OBDepict
N
N
N
H
N
H
O
N
O
NH
2
CH
3
CH
3
|
IC50 |
= |
1.3 |
nM |
460.58 |
CC(C)(N)C(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL451931 |
OBDepict
OH
N
N
H
N
N
N
O
N
H
O
O
CH
3
|
IC50 |
= |
1.3 |
nM |
554.65 |
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(CCO)CC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL4438121 |
OBDepict
Cl
N
H
O
CH
3
H
2
N
N
N
N
CH
3
|
IC50 |
= |
1.3 |
nM |
441.92 |
Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N |
Homo sapiens |
CHEMBL4325582 |
single protein format |
CHEMBL2158297 |
OBDepict
N
N
N
H
N
H
O
N
O
N
|
IC50 |
= |
1.3 |
nM |
494.6 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)Cc4ccncc4)CC3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL522834 |
OBDepict
CH
3
O
HN
O
N
O
N
N
N
H
N
O
|
IC50 |
= |
1.3 |
nM |
540.62 |
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2c1=O |
Homo sapiens |
CHEMBL961253 |
single protein format |
CHEMBL2158292 |
OBDepict
N
N
N
H
N
H
O
N
O
+
N
_
O
|
IC50 |
= |
1.3 |
nM |
496.57 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)c4cc[n+]([O-])cc4)CC3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL3639596 |
OBDepict
CH
3
S
N
H
CH
3
CH
3
N
H
O
N
N
CH
3
H
3
C
H
N
|
IC50 |
= |
1.3 |
nM |
465.67 |
CSCCNCC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1 |
Homo sapiens |
CHEMBL3887764 |
single protein format |
CHEMBL2158229 |
OBDepict
N
N
N
H
N
H
O
N
O
HO
|
IC50 |
= |
1.3 |
nM |
433.51 |
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(CC(=O)O)CC3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL2163155 |
single protein format |
CHEMBL4286210 |
OBDepict
OH
O
F
F
F
CH
3
O
HN
H
2
C
HN
O
N
N
H
N
|
IC50 |
= |
1.3 |
nM |
519.52 |
C=C(CNCCOC)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCCCC2)c1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL4256960 |
single protein format |
CHEMBL3085834 |
OBDepict
CH
3
O
N
N
CH
3
H
3
C
HN
O
N
N
H
3
C
H
3
C
H
N
|
IC50 |
= |
1.3 |
nM |
504.68 |
COCCN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL3646211 |
OBDepict
OH
OH
H
N
N
N
S
H
2
N
N
H
NH
O
O
H
3
C
|
IC50 |
= |
1.34 |
nM |
530.61 |
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](O)CO)c5)cnc(N)c34)cc2)cc1 |
Homo sapiens |
CHEMBL3707499 |
single protein format |
CHEMBL3086175 |
OBDepict
N
N
N
H
N
H
O
N
O
|
IC50 |
= |
1.4 |
nM |
405.5 |
N#Cc1cnc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1 |
Homo sapiens |
CHEMBL3088374 |
single protein format |
CHEMBL3660763 |
OBDepict
CH
3
S
HN
CH
3
CH
3
N
H
O
N
N
CH
3
H
3
C
H
N
|
IC50 |
= |
1.4 |
nM |
451.64 |
CSCCNC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1 |
Homo sapiens |
CHEMBL3887764 |
single protein format |
CHEMBL1172347 |
OBDepict
N
N
N
H
N
H
O
+
N
_
O
|
IC50 |
= |
1.4 |
nM |
385.43 |
N#Cc1c[nH]c(C(=O)Nc2ccc(-c3ccc[n+]([O-])c3)cc2C2=CCCCC2)n1 |
Homo sapiens |
CHEMBL1174608 |
single protein format |