molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL187092 |
|
IC50 |
= |
79.0 |
nM |
472.92 |
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)[C@H]1C(=O)NO |
Homo sapiens |
CHEMBL2167995 |
single protein format |
CHEMBL4877087 |
OBDepict
O
N
H
NH
O
N
O
N
Cl
|
IC50 |
= |
328.0 |
nM |
390.87 |
O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(C2CC2)N1 |
Homo sapiens |
CHEMBL4835174 |
single protein format |
CHEMBL4862188 |
OBDepict
O
N
H
N
H
O
N
N
O
N
Cl
F
|
IC50 |
= |
631.0 |
nM |
445.88 |
O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)(c2ccccn2)N1 |
Homo sapiens |
CHEMBL4835174 |
single protein format |
CHEMBL208009 |
OBDepict
HO
NH
O
N
H
N
H
O
O
CH
3
N
|
Ki |
= |
776.0 |
nM |
448.52 |
Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCNCC3)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL853110 |
single protein format |