molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3352840 |
|
Ki |
= |
34.8 |
nM |
577.67 |
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3371671 |
single protein format |
CHEMBL1229259 |
OBDepict
H
2
N
N
H
NH
NH
H
N
O
S
O
O
H
HN
O
NH
H
2
N
|
Ki |
= |
170.0 |
nM |
556.69 |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810434 |
single protein format |
CHEMBL3219087 |
OBDepict
NH
2
N
O
HN
H
S
O
O
O
CH
3
O
CH
3
HN
NH
2
|
Ki |
= |
310.0 |
nM |
593.75 |
COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(OC)c1 |
Homo sapiens |
CHEMBL3225092 |
cell-based format |