molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3764876 |
|
IC50 |
= |
40.0 |
nM |
502.32 |
O=C(O)CN(c1cccc(-c2cccc(Cl)c2Cl)c1)S(=O)(=O)c1ccc(OC(F)F)cc1 |
Homo sapiens |
CHEMBL3768874 |
single protein format |
CHEMBL3764017 |
OBDepict
OH
O
N
S
O
O
O
H
3
C
H
3
C
Cl
Cl
|
IC50 |
= |
40.0 |
nM |
574.53 |
CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)C3(c4cccc(-c5cc(Cl)cc(Cl)c5)c4)CCC3)ccc2O1 |
Homo sapiens |
CHEMBL3768874 |
single protein format |
CHEMBL158897 |
OBDepict
O
O
N
H
N
N
H
O
O
N
|
IC50 |
= |
60.0 |
nM |
394.52 |
O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1 |
Homo sapiens |
CHEMBL962983 |
cell-based format |
CHEMBL175247 |
OBDepict
H
3
C
O
H
H
O
O
H
N
H
H
O
CH
3
H
3
C
O
CH
3
|
IC50 |
= |
60.0 |
nM |
495.75 |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |
Homo sapiens |
CHEMBL962983 |
cell-based format |
CHEMBL3764093 |
OBDepict
HO
O
N
S
O
O
Cl
Cl
Cl
Cl
|
IC50 |
= |
80.0 |
nM |
559.3 |
O=C(O)CN(C1(c2cccc(-c3ccc(Cl)cc3Cl)c2)CCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL3768874 |
single protein format |
CHEMBL3765022 |
OBDepict
OH
O
N
S
O
O
O
F
F
O
F
F
F
|
IC50 |
= |
112.0 |
nM |
571.52 |
O=C(O)CN(C1(c2ccc(-c3ccccc3OC(F)(F)F)cc2)CCC1)S(=O)(=O)c1ccc(OC(F)F)cc1 |
Homo sapiens |
CHEMBL3768874 |
single protein format |
CHEMBL3765421 |
OBDepict
OH
O
N
S
O
O
O
F
F
Cl
Cl
|
IC50 |
= |
146.0 |
nM |
556.41 |
O=C(O)CN(C1(c2ccc(-c3ccc(Cl)cc3Cl)cc2)CCC1)S(=O)(=O)c1ccc(OC(F)F)cc1 |
Homo sapiens |
CHEMBL3768874 |
single protein format |