molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3351077 |
|
IC50 |
= |
98.0 |
nM |
532.56 |
NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1 |
Homo sapiens |
CHEMBL4138803 |
single protein format |
CHEMBL1257003 |
OBDepict
N
O
OH
I
O
HO
OH
CH
3
|
IC50 |
= |
282.0 |
nM |
437.19 |
COc1cc(/C=C(C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O |
Homo sapiens |
CHEMBL4138803 |
single protein format |
CHEMBL2426365 |
OBDepict
O
N
NH
N
N
O
N
|
IC50 |
= |
740.0 |
nM |
543.76 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(NCc2ccccc2)c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429078 |
single protein format |