molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
7.25 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328381 |
single protein format |
CHEMBL3103192 |
OBDepict
H
2
N
N
H
3
C
HN
N
H
O
CH
3
N
HN
N
N
N
|
IC50 |
= |
10.0 |
nM |
419.49 |
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN |
Homo sapiens |
CHEMBL3810712 |
single protein format |
CHEMBL4764610 |
OBDepict
H
3
C
O
N
F
N
O
H
H
3
C
N
H
H
3
C
CH
3
H
3
C
N
H
3
C
H
N
|
IC50 |
= |
22.0 |
nM |
475.57 |
COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1C[C@H](C)N(C)[C@H](C)C1 |
Homo sapiens |
CHEMBL4705523 |
single protein format |
CHEMBL3799389 |
OBDepict
HO
N
N
H
O
N
H
NH
O
|
IC50 |
= |
170.0 |
nM |
360.37 |
O=C1Nc2ccc(NC(=O)C3CC3)cc2/C1=C1/Nc2ccccc2/C1=NO |
Homo sapiens |
CHEMBL3802097 |
single protein format |
CHEMBL3797466 |
OBDepict
HO
N
N
H
O
NH
HN
O
CH
3
H
3
C
|
IC50 |
= |
570.0 |
nM |
374.4 |
CC(C)=CC(=O)Nc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=NO)C(=O)N2 |
Homo sapiens |
CHEMBL3802097 |
single protein format |
CHEMBL3799585 |
OBDepict
CH
3
HN
O
NH
O
N
H
N
HO
|
IC50 |
= |
590.0 |
nM |
362.39 |
CCCC(=O)Nc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=NO)C(=O)N2 |
Homo sapiens |
CHEMBL3802097 |
single protein format |
CHEMBL513703 |
OBDepict
HO
N
N
H
O
NH
HN
O
CH
3
CH
3
CH
3
|
IC50 |
= |
830.0 |
nM |
376.42 |
CC(C)(C)C(=O)Nc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=NO)C(=O)N2 |
Homo sapiens |
CHEMBL3802097 |
single protein format |