molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4635883 |
|
IC50 |
= |
1.0 |
nM |
397.53 |
CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1 |
Homo sapiens |
CHEMBL4629896 |
single protein format |
CHEMBL4640712 |
OBDepict
N
CH
3
CH
3
HN
H
3
C
H
3
C
N
N
N
N
O
NH
2
H
NH
2
|
IC50 |
= |
2.0 |
nM |
446.56 |
CC(C)(C#N)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)(C)C#N)c1 |
Homo sapiens |
CHEMBL4629896 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
3.02 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328329 |
single protein format |
CHEMBL3301610 |
OBDepict
H
3
C
N
N
N
N
H
N
N
F
F
N
N
H
3
C
H
3
C
H
3
C
|
Ki |
< |
10.0 |
nM |
506.61 |
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1 |
Homo sapiens |
CHEMBL4348744 |
assay format |