molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL135 |
|
Ki |
= |
5.7 |
nM |
272.39 |
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O |
Homo sapiens |
CHEMBL1226308 |
cell-based format |
CHEMBL569766 |
OBDepict
CH
3
O
N
H
H
H
H
Br
O
O
|
IC50 |
= |
11.0 |
nM |
412.28 |
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 |
Homo sapiens |
CHEMBL1038026 |
single protein format |
CHEMBL569766 |
OBDepict
CH
3
O
N
H
H
H
H
Br
O
O
|
Ki |
= |
11.0 |
nM |
412.28 |
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 |
Homo sapiens |
CHEMBL1226308 |
cell-based format |
CHEMBL583543 |
OBDepict
Br
O
H
N
H
O
H
H
|
IC50 |
= |
20.0 |
nM |
370.25 |
Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2 |
Homo sapiens |
CHEMBL1038026 |
single protein format |
CHEMBL583543 |
OBDepict
Br
O
H
N
H
O
H
H
|
Ki |
= |
20.0 |
nM |
370.25 |
Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2 |
Homo sapiens |
CHEMBL1220636 |
cell-based format |