molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4069412 |
|
Ki |
= |
100.0 |
nM |
377.29 |
CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1 |
Homo sapiens |
CHEMBL4003560 |
assay format |
CHEMBL3752151 |
OBDepict
H
3
C
O
S
NH
O
O
N
H
3
C
CH
3
O
N
|
IC50 |
= |
140.0 |
nM |
383.43 |
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C |
Homo sapiens |
CHEMBL4030909 |
assay format |
CHEMBL4103077 |
OBDepict
CH
3
O
HN
N
S
CH
3
O
O
O
H
3
C
N
O
CH
3
|
IC50 |
= |
190.0 |
nM |
413.46 |
COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1OC)cc(C)c(=O)n2C |
Homo sapiens |
CHEMBL4030909 |
assay format |
CHEMBL4102050 |
OBDepict
N
S
HN
O
O
N
CH
3
CH
3
O
|
IC50 |
= |
260.0 |
nM |
353.4 |
Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O |
Homo sapiens |
CHEMBL4030909 |
assay format |
CHEMBL4059962 |
OBDepict
CH
3
O
HN
N
S
CH
3
O
O
N
O
CH
3
|
IC50 |
= |
280.0 |
nM |
383.43 |
COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)cc(C)c(=O)n2C |
Homo sapiens |
CHEMBL4030909 |
assay format |
CHEMBL4087315 |
OBDepict
CH
3
O
HN
N
S
CH
3
O
O
O
CH
3
|
IC50 |
= |
590.0 |
nM |
358.42 |
COc1cc2c(cc1NS(=O)(=O)c1ccccc1)cc(C)c(=O)n2C |
Homo sapiens |
CHEMBL4030909 |
assay format |
CHEMBL4076056 |
OBDepict
N
S
HN
O
O
N
CH
3
O
|
IC50 |
= |
1000.0 |
nM |
339.38 |
Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21 |
Homo sapiens |
CHEMBL4030909 |
assay format |