molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3730717 |
|
IC50 |
= |
182.0 |
nM |
425.57 |
COc1ccccc1C(O)/C=C1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL3734551 |
single protein format |
CHEMBL3730599 |
OBDepict
O
O
N
H
H
N
Cl
|
IC50 |
= |
607.0 |
nM |
446.98 |
O=C(Nc1ccccc1Cl)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL3734551 |
single protein format |
CHEMBL3727861 |
OBDepict
F
OH
N
|
IC50 |
= |
630.0 |
nM |
413.54 |
OC(/C=C1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3734551 |
single protein format |
CHEMBL3343995 |
OBDepict
H
3
C
O
O
N
|
IC50 |
= |
800.0 |
nM |
423.56 |
COc1ccccc1C(=O)/C=C1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |
Homo sapiens |
CHEMBL3388388 |
cell-based format |