molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3360855 |
|
IC50 |
= |
45.0 |
nM |
539.68 |
Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)c(=O)[nH]1 |
Homo sapiens |
CHEMBL4735337 |
single protein format |
CHEMBL4297463 |
OBDepict
CH
3
O
CH
3
N
NH
O
H
O
CH
3
N
CH
3
H
N
F
F
F
|
IC50 |
= |
52.0 |
nM |
518.58 |
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL4766109 |
single protein format |
CHEMBL4594174 |
OBDepict
CH
3
CH
3
N
HN
O
H
O
N
N
N
CH
3
H
3
C
N
HN
|
IC50 |
= |
60.0 |
nM |
527.67 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL3414619 |
OBDepict
CH
3
CH
3
N
HN
O
H
O
N
N
N
CH
3
H
3
C
N
N
H
3
C
CH
3
|
IC50 |
= |
69.0 |
nM |
569.75 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4080228 |
OBDepict
CH
3
O
H
3
C
N
N
O
H
O
Cl
Cl
O
H
CH
3
O
|
Ki |
= |
70.0 |
nM |
467.35 |
COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](OC)C3COC3)c(Cl)c2C1=O |
Homo sapiens |
CHEMBL4027425 |
single protein format |
CHEMBL4567859 |
OBDepict
CH
3
N
H
3
C
N
N
N
HN
O
N
H
3
C
CH
3
O
N
H
CH
3
|
IC50 |
= |
86.0 |
nM |
595.79 |
Cc1cc(C2CCCC2)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1 |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4557033 |
OBDepict
CH
3
CH
3
N
HN
O
H
O
N
N
N
CH
3
H
3
C
N
N
H
3
C
|
IC50 |
= |
88.0 |
nM |
555.73 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(CC)CC3)nc2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4559875 |
OBDepict
H
3
C
H
3
C
N
N
H
O
H
O
N
N
N
N
N
CH
3
H
3
C
|
IC50 |
= |
108.0 |
nM |
595.79 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C1CCCC1 |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4545986 |
OBDepict
CH
3
CH
3
N
HN
O
H
O
N
N
N
CH
3
H
3
C
N
N
H
3
C
CH
3
|
IC50 |
= |
126.0 |
nM |
597.81 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(CC)CC |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4539055 |
OBDepict
CH
3
CH
3
N
HN
O
H
O
N
N
N
H
3
C
H
3
C
CH
3
N
N
H
3
C
CH
3
|
IC50 |
= |
127.0 |
nM |
583.78 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4554286 |
OBDepict
H
3
C
CH
3
N
HN
O
H
O
N
N
N
CH
3
H
3
C
N
N
H
3
C
CH
3
|
IC50 |
= |
160.0 |
nM |
583.78 |
CCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4551319 |
OBDepict
CH
3
CH
3
CH
3
N
HN
O
H
O
N
N
N
CH
3
H
3
C
N
N
H
3
C
CH
3
|
IC50 |
= |
211.0 |
nM |
583.78 |
Cc1cc(CC(C)C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1 |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4559801 |
OBDepict
CH
3
N
H
3
C
N
N
N
NH
O
N
H
3
C
CH
3
O
N
CH
3
H
3
C
H
CH
3
|
IC50 |
= |
320.0 |
nM |
569.75 |
Cc1cc(C(C)C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1 |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4569399 |
OBDepict
CH
3
CH
3
N
N
H
O
H
O
N
N
H
3
C
H
3
C
N
H
|
IC50 |
= |
613.0 |
nM |
449.6 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C2CCNCC2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4542135 |
OBDepict
CH
3
CH
3
N
N
H
O
H
O
N
N
N
H
3
C
H
3
C
|
IC50 |
= |
681.0 |
nM |
443.55 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccn2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4593352 |
OBDepict
CH
3
CH
3
N
N
H
O
H
O
N
N
N
H
3
C
H
3
C
F
|
IC50 |
= |
773.0 |
nM |
461.54 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(F)cn2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4544978 |
OBDepict
CH
3
CH
3
N
NH
O
H
O
N
N
N
H
3
C
CH
3
N
N
CH
3
CH
3
|
IC50 |
= |
810.0 |
nM |
555.73 |
CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |
CHEMBL4575460 |
OBDepict
CH
3
CH
3
N
N
H
O
H
O
N
N
N
H
3
C
H
3
C
N
H
|
IC50 |
= |
880.0 |
nM |
450.59 |
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(N2CCNCC2)cc2c1cnn2C(C)C |
Homo sapiens |
CHEMBL4479463 |
single protein format |