molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL238371 |
|
IC50 |
= |
5.0 |
nM |
548.46 |
O=C(O)CC(O)CCC(=O)c1cccc(O)c1C(=O)c1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O |
Homo sapiens |
CHEMBL898227 |
single protein format |
CHEMBL3218302 |
OBDepict
O
O
H
H
OH
O
H
OH
O
HO
HO
H
H
Cl
|
IC50 |
= |
210.0 |
nM |
502.95 |
O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](OC[C@@H]2C[C@@H]2c2ccc(Cl)cc2)(C(=O)O)C[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL3224852 |
single protein format |
CHEMBL3218303 |
OBDepict
CH
3
O
O
O
O
CH
3
CH
3
O
CH
3
CH
3
H
3
C
OH
CH
3
O
CH
3
H
3
C
OH
O
OH
|
IC50 |
= |
330.0 |
nM |
552.58 |
COc1cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(OC)c1C |
Homo sapiens |
CHEMBL3224852 |
single protein format |