molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
77.8 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328533 |
single protein format |
CHEMBL4517408 |
OBDepict
CH
3
O
O
CH
3
O
H
3
C
N
CH
3
N
HN
|
IC50 |
= |
336.0 |
nM |
419.53 |
COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1OC |
Homo sapiens |
CHEMBL4626197 |
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 |
CHEMBL4602945 |
single protein format |