molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4872886 |
|
IC50 |
= |
120.0 |
nM |
339.34 |
CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 |
Homo sapiens |
CHEMBL4829163 |
single protein format |
CHEMBL4249925 |
OBDepict
O
N
H
S
N
N
H
S
N
O
O
CH
3
H
N
|
Ki |
= |
160.0 |
nM |
427.51 |
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 |
Homo sapiens |
CHEMBL4235335 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
458.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4720544 |
single protein format |
CHEMBL4248525 |
OBDepict
CH
3
N
N
O
N
H
O
S
N
N
H
N
|
Ki |
= |
660.0 |
nM |
490.63 |
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncccc45)cs3)c2)CC1 |
Homo sapiens |
CHEMBL4235335 |
single protein format |
CHEMBL10 |
OBDepict
F
N
N
H
N
+
S
H
3
C
_
O
|
IC50 |
< |
1000.0 |
nM |
377.44 |
C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 |
Homo sapiens |
CHEMBL4602941 |
single protein format |