molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4594145 |
|
IC50 |
= |
4.5 |
nM |
334.37 |
CC1(O)CC(C2=C/C=CC=C/C=C2)c2c(c3ccccc3oc2=O)O1 |
Homo sapiens |
CHEMBL4434081 |
cell-based format |
CHEMBL1464 |
OBDepict
CH
3
O
O
O
OH
|
IC50 |
= |
8.8 |
nM |
308.33 |
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O |
Homo sapiens |
CHEMBL4434081 |
cell-based format |
CHEMBL4530669 |
OBDepict
O
N
N
N
O
CH
3
HO
O
O
H
|
IC50 |
= |
58.2 |
nM |
495.54 |
C[C@]1(O)C[C@H](C2=C/C=CC=C/C=C2)[C@]2(COc3ccccc3C2=O)n2c(=O)n(-c3ccccc3)c(=O)n21 |
Homo sapiens |
CHEMBL4434081 |
cell-based format |
CHEMBL4517532 |
OBDepict
CH
3
O
O
O
OH
|
IC50 |
= |
59.0 |
nM |
342.44 |
CC(=O)CC(c1c(O)c2ccccc2oc1=O)C1CCCCCCC1 |
Homo sapiens |
CHEMBL4434081 |
cell-based format |
CHEMBL4443961 |
OBDepict
CH
3
O
O
O
OH
|
IC50 |
= |
90.2 |
nM |
314.38 |
CC(=O)CC(c1c(O)c2ccccc2oc1=O)C1CCCCC1 |
Homo sapiens |
CHEMBL4434081 |
cell-based format |