molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL148169 |
|
Ki |
= |
15.0 |
nM |
433.51 |
Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL953078 |
single protein format |
CHEMBL3643916 |
OBDepict
OH
NH
O
N
H
NH
S
O
O
O
O
CH
3
N
|
IC50 |
= |
24.0 |
nM |
500.58 |
Cc1cc(COc2ccc(S(=O)(=O)NC[C@@H](C(=O)NO)N3CCOCC3)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |
CHEMBL3643914 |
OBDepict
OH
NH
O
N
H
NH
S
O
O
O
CH
3
N
|
IC50 |
= |
26.0 |
nM |
498.61 |
Cc1cc(COc2ccc(S(=O)(=O)NC[C@@H](C(=O)NO)N3CCCCC3)cc2)c2ccccc2n1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |
CHEMBL3643913 |
OBDepict
OH
HN
O
N
H
NH
S
O
O
O
O
|
IC50 |
= |
147.0 |
nM |
435.5 |
O=C(NO)[C@H](CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)N1CCOCC1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |
CHEMBL3643910 |
OBDepict
OH
HN
O
N
H
NH
S
O
O
O
F
|
IC50 |
= |
181.0 |
nM |
451.52 |
O=C(NO)[C@H](CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1)N1CCCCC1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |
CHEMBL3643908 |
OBDepict
OH
HN
O
N
H
NH
S
O
O
O
|
IC50 |
= |
181.0 |
nM |
433.53 |
O=C(NO)[C@H](CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)N1CCCCC1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |
CHEMBL3643911 |
OBDepict
OH
HN
O
N
H
NH
S
O
O
O
|
IC50 |
= |
249.0 |
nM |
483.59 |
O=C(NO)[C@H](CNS(=O)(=O)c1ccc(OCc2ccc3ccccc3c2)cc1)N1CCCCC1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |
CHEMBL3643909 |
OBDepict
OH
N
H
O
N
H
NH
S
O
O
O
|
IC50 |
= |
298.0 |
nM |
419.5 |
O=C(NO)[C@H](CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)N1CCCC1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |
CHEMBL3643912 |
OBDepict
OH
HN
O
N
H
NH
S
O
O
O
Cl
Cl
|
IC50 |
= |
328.0 |
nM |
502.42 |
O=C(NO)[C@H](CNS(=O)(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CCCCC1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |
CHEMBL3643915 |
OBDepict
OH
HN
O
N
H
NH
S
O
O
O
Cl
Cl
|
IC50 |
= |
469.0 |
nM |
502.42 |
O=C(NO)[C@H](CNS(=O)(=O)c1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)N1CCCCC1 |
Homo sapiens |
CHEMBL3706288 |
single protein format |