molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3613706 |
|
IC50 |
= |
6.0 |
nM |
489.56 |
COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)Nc4cnn(-c5ccccc5)n4)cc3C2)c1 |
Homo sapiens |
CHEMBL3616091 |
single protein format |
CHEMBL3613707 |
OBDepict
CH
3
O
N
O
S
NH
O
O
N
N
N
F
|
IC50 |
= |
6.0 |
nM |
507.55 |
COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)Nc4cnn(-c5ccc(F)cc5)n4)cc3C2)c1 |
Homo sapiens |
CHEMBL3616091 |
single protein format |
CHEMBL3613712 |
OBDepict
CH
3
O
N
O
S
HN
O
O
N
N
N
F
F
|
IC50 |
= |
63.0 |
nM |
503.53 |
COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)Nc4cnn(C5CC(F)(F)C5)n4)cc3C2)c1 |
Homo sapiens |
CHEMBL3616091 |
single protein format |
CHEMBL3613711 |
OBDepict
CH
3
O
N
O
S
NH
O
O
N
N
N
O
|
IC50 |
= |
72.0 |
nM |
497.58 |
COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)Nc4cnn(C5CCCOC5)n4)cc3C2)c1 |
Homo sapiens |
CHEMBL3616091 |
single protein format |
CHEMBL3613709 |
OBDepict
CH
3
O
N
O
S
HN
O
O
N
N
N
|
IC50 |
= |
92.0 |
nM |
467.55 |
COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)Nc4cnn(C5CCC5)n4)cc3C2)c1 |
Homo sapiens |
CHEMBL3616091 |
single protein format |
CHEMBL3613710 |
OBDepict
CH
3
O
N
O
S
HN
O
O
N
N
N
O
|
IC50 |
= |
365.0 |
nM |
469.52 |
COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)Nc4cnn(C5COC5)n4)cc3C2)c1 |
Homo sapiens |
CHEMBL3616091 |
single protein format |
CHEMBL3613708 |
OBDepict
CH
3
O
N
O
S
NH
O
O
N
N
N
CH
3
H
3
C
|
IC50 |
= |
597.0 |
nM |
455.54 |
COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)Nc4cnn(C(C)C)n4)cc3C2)c1 |
Homo sapiens |
CHEMBL3616091 |
single protein format |
CHEMBL3613703 |
OBDepict
CH
3
O
N
O
S
NH
O
O
F
|
IC50 |
= |
682.0 |
nM |
468.55 |
COc1cccc(CC(=O)N2Cc3ccc(S(=O)(=O)NCCc4cccc(F)c4)cc3C2)c1 |
Homo sapiens |
CHEMBL3616091 |
single protein format |