molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4516665 |
|
Ki |
= |
13.0 |
nM |
396.47 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4535040 |
OBDepict
O
N
H
N
N
H
HN
S
O
O
|
Ki |
= |
17.0 |
nM |
410.5 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4571548 |
OBDepict
CH
3
CH
3
S
N
H
O
O
N
H
N
HN
O
|
Ki |
= |
17.0 |
nM |
412.52 |
CC(C)CS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4452939 |
OBDepict
CH
3
N
S
N
H
O
O
N
H
N
HN
O
CH
3
|
Ki |
= |
17.0 |
nM |
427.53 |
CCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4534959 |
OBDepict
O
N
H
N
N
H
HN
S
O
O
|
Ki |
= |
17.0 |
nM |
410.5 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)CC4CC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4452360 |
OBDepict
O
HN
N
N
H
N
H
S
N
O
O
H
3
C
CH
3
|
Ki |
= |
19.0 |
nM |
399.48 |
CN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4531680 |
OBDepict
CH
3
N
S
CH
3
N
H
O
O
N
H
N
HN
O
|
Ki |
= |
20.0 |
nM |
413.5 |
CCN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4447403 |
OBDepict
O
HN
N
N
H
N
H
S
O
O
F
F
F
|
Ki |
= |
27.0 |
nM |
466.49 |
O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CCC(F)(F)F)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4552310 |
OBDepict
CH
3
S
N
H
O
O
N
H
N
HN
O
|
Ki |
= |
30.0 |
nM |
398.49 |
CCCS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4582326 |
OBDepict
O
HN
N
N
H
N
H
S
O
O
F
F
F
|
Ki |
= |
33.0 |
nM |
452.46 |
O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CC(F)(F)F)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4470026 |
OBDepict
CH
3
N
S
CH
3
NH
O
O
N
H
N
N
H
O
|
Ki |
= |
36.0 |
nM |
427.53 |
CCN(C)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4542463 |
OBDepict
O
N
H
N
N
H
N
H
S
O
O
|
Ki |
= |
37.0 |
nM |
424.53 |
O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CC4CC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4561238 |
OBDepict
O
HN
N
N
H
NH
S
N
O
O
CH
3
F
F
F
|
Ki |
= |
42.0 |
nM |
481.5 |
CN(CC(F)(F)F)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4473140 |
OBDepict
O
N
H
N
N
H
N
H
S
O
O
F
|
Ki |
= |
51.0 |
nM |
464.52 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4ccccc4F)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4593649 |
OBDepict
O
N
H
N
N
H
NH
S
O
O
F
|
Ki |
= |
53.0 |
nM |
464.52 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4cccc(F)c4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4522276 |
OBDepict
H
3
C
CH
3
S
HN
O
O
N
H
N
N
H
O
|
Ki |
= |
59.0 |
nM |
426.54 |
CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4472438 |
OBDepict
CH
3
N
S
NH
O
O
N
H
N
N
H
O
H
3
C
|
Ki |
= |
74.0 |
nM |
441.56 |
CCN(CC)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4872886 |
OBDepict
H
3
C
CH
3
NH
2
H
N
H
O
O
O
F
F
N
|
IC50 |
= |
120.0 |
nM |
339.34 |
CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 |
Homo sapiens |
CHEMBL4829161 |
assay format |
CHEMBL4534571 |
OBDepict
O
N
H
N
N
H
NH
S
O
O
F
|
Ki |
= |
120.0 |
nM |
464.52 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4ccc(F)cc4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345184 |
assay format |
CHEMBL4535040 |
OBDepict
O
N
H
N
N
H
HN
S
O
O
|
IC50 |
= |
707.0 |
nM |
410.5 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345188 |
cell-based format |