molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1272 |
|
IC50 |
= |
106.0 |
nM |
452.6 |
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O |
Homo sapiens |
CHEMBL832318 |
cell-based format |
CHEMBL360610 |
OBDepict
H
3
C
O
O
OH
N
H
O
H
N
H
3
C
CH
3
|
IC50 |
= |
163.0 |
nM |
438.57 |
COc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O |
Homo sapiens |
CHEMBL832318 |
cell-based format |
CHEMBL186684 |
OBDepict
F
O
O
OH
HN
O
H
N
H
3
C
CH
3
|
IC50 |
= |
281.0 |
nM |
470.59 |
CC(C)C[C@H](NC(=O)Cc1ccc(C(=O)O)c(OCCF)c1)c1ccccc1N1CCCCC1 |
Homo sapiens |
CHEMBL832318 |
cell-based format |