molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4075458 |
|
Ki |
= |
12.8 |
nM |
363.39 |
O=C1C=Cc2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccccc2)C1=O |
Homo sapiens |
CHEMBL4059046 |
assay format |
CHEMBL4064932 |
OBDepict
CH
3
O
S
N
O
S
O
O
O
|
Ki |
= |
15.0 |
nM |
501.59 |
COc1ccc(SC2=CC(=O)C(=O)c3c(-c4ccccc4)cn(S(=O)(=O)c4ccccc4)c32)cc1 |
Homo sapiens |
CHEMBL4059046 |
assay format |
CHEMBL4095060 |
OBDepict
H
3
C
O
N
O
S
O
O
O
|
Ki |
= |
41.0 |
nM |
469.52 |
COc1ccc(C2=CC(=O)C(=O)c3c(-c4ccccc4)cn(S(=O)(=O)c4ccccc4)c32)cc1 |
Homo sapiens |
CHEMBL4059046 |
assay format |
CHEMBL4100171 |
OBDepict
F
S
N
O
O
O
O
|
Ki |
= |
48.0 |
nM |
381.38 |
O=C1C=Cc2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc(F)cc2)C1=O |
Homo sapiens |
CHEMBL4059046 |
assay format |
CHEMBL227075 |
OBDepict
O
O
O
H
H
3
C
CH
3
|
Ki |
= |
50.0 |
nM |
278.31 |
Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1 |
Homo sapiens |
CHEMBL4059046 |
assay format |
CHEMBL4105230 |
OBDepict
CH
3
O
N
O
S
O
O
O
|
Ki |
= |
55.0 |
nM |
469.52 |
COc1cccc(C2=CC(=O)C(=O)c3c(-c4ccccc4)cn(S(=O)(=O)c4ccccc4)c32)c1 |
Homo sapiens |
CHEMBL4059046 |
assay format |
CHEMBL4073526 |
OBDepict
O
O
N
S
O
O
CH
3
|
Ki |
= |
56.0 |
nM |
301.32 |
CS(=O)(=O)n1cc(-c2ccccc2)c2c1C=CC(=O)C2=O |
Homo sapiens |
CHEMBL4059046 |
assay format |
CHEMBL227075 |
OBDepict
O
O
O
H
H
3
C
CH
3
|
IC50 |
= |
68.0 |
nM |
278.31 |
Cc1cccc2c3c(ccc12)C1=C(C(=O)C3=O)[C@@H](C)CO1 |
Homo sapiens |
CHEMBL4018390 |
single protein format |
CHEMBL4094161 |
OBDepict
CH
3
N
H
O
S
N
O
O
O
O
|
Ki |
= |
81.0 |
nM |
420.45 |
CC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3c2C=CC(=O)C3=O)cc1 |
Homo sapiens |
CHEMBL4059046 |
assay format |
CHEMBL1499653 |
OBDepict
CH
3
O
O
O
CH
3
N
O
O
O
H
3
C
|
Ki |
= |
350.0 |
nM |
513.59 |
COc1ccc(C(CC(=O)N2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 |
Homo sapiens |
CHEMBL4018391 |
single protein format |
CHEMBL4061748 |
OBDepict
N
NH
2
N
S
N
O
O
OH
OH
|
IC50 |
= |
380.0 |
nM |
508.56 |
N#Cc1c(N)nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c1-c1ccc(COc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4018388 |
single protein format |
CHEMBL1522581 |
OBDepict
H
3
C
N
O
CH
3
O
O
CH
3
O
O
O
CH
3
CH
3
|
Ki |
= |
570.0 |
nM |
515.61 |
CCN(CC)C(=O)CC(c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 |
Homo sapiens |
CHEMBL4018391 |
single protein format |
CHEMBL1330249 |
OBDepict
CH
3
N
O
H
3
C
O
O
CH
3
O
O
O
O
H
3
C
O
H
3
C
CH
3
CH
3
|
Ki |
= |
590.0 |
nM |
575.66 |
CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 |
Homo sapiens |
CHEMBL4018391 |
single protein format |
CHEMBL1390568 |
OBDepict
H
3
C
O
O
O
CH
3
N
O
O
O
CH
3
O
|
Ki |
= |
800.0 |
nM |
529.59 |
COc1ccc(C(CC(=O)N2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 |
Homo sapiens |
CHEMBL4018391 |
single protein format |