molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL259355 |
|
IC50 |
< |
195.0 |
nM |
243.31 |
Cc1ccc(C)n1C(Cc1ccccc1)C(=O)O |
Homo sapiens |
CHEMBL1613981 |
single protein format |
CHEMBL1381627 |
OBDepict
CH
3
O
O
H
3
C
O
N
O
H
3
C
N
S
O
O
HO
OH
|
IC50 |
= |
492.62 |
nM |
458.45 |
COc1cc(-c2nnc(SCc3cc(=O)oc4cc(O)c(O)cc34)o2)cc(OC)c1OC |
Homo sapiens |
CHEMBL1613981 |
single protein format |
CHEMBL1575787 |
OBDepict
CH
3
O
Br
N
H
O
N
N
H
3
C
|
IC50 |
= |
558.14 |
nM |
418.34 |
CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br |
Homo sapiens |
CHEMBL1613981 |
single protein format |
CHEMBL1566165 |
OBDepict
O
N
N
H
N
N
O
O
|
IC50 |
= |
725.2 |
nM |
402.45 |
O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1 |
Homo sapiens |
CHEMBL1613981 |
single protein format |
CHEMBL1504655 |
OBDepict
OH
O
S
N
CH
3
CH
3
|
IC50 |
= |
783.41 |
nM |
221.28 |
Cc1ccc(C)n1-c1sccc1C(=O)O |
Homo sapiens |
CHEMBL1613981 |
single protein format |
CHEMBL1432963 |
OBDepict
NH
2
CH
3
N
ClH
|
IC50 |
= |
963.49 |
nM |
212.72 |
Cc1cc(N)ccc1N1CCCC1.Cl |
Homo sapiens |
CHEMBL1613981 |
single protein format |