molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4128926 |
|
IC50 |
= |
0.25 |
nM |
583.78 |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 |
Homo sapiens |
CHEMBL4121493 |
single protein format |
CHEMBL506981 |
OBDepict
CH
3
O
O
N
H
3
C
N
N
H
O
N
O
HO
Cl
|
IC50 |
= |
0.99 |
nM |
587.08 |
COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12 |
Homo sapiens |
CHEMBL1014541 |
single protein format |
CHEMBL496585 |
OBDepict
CH
3
H
3
C
N
H
H
O
HO
O
N
HN
S
O
O
N
|
Ki |
= |
545.0 |
nM |
494.57 |
CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21)C(=O)O |
Homo sapiens |
CHEMBL1003670 |
cell-based format |