molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3040285 |
|
IC50 |
= |
31.0 |
nM |
460.63 |
c1cc2cc(c1)CNc1cc[n+](c3ccccc13)CCCCC[n+]1ccc(c3ccccc31)NC2 |
Homo sapiens |
CHEMBL2394433 |
single protein format |
CHEMBL476339 |
OBDepict
CH
3
N
N
H
S
N
N
|
IC50 |
= |
59.0 |
nM |
268.35 |
Cc1ccnc(Nc2nc(-c3ccccn3)cs2)c1 |
Homo sapiens |
CHEMBL986170 |
cell-based format |
CHEMBL360621 |
OBDepict
+
N
+
N
HN
NH
|
IC50 |
= |
60.0 |
nM |
460.63 |
c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)NCc2ccc(cc2)CN1 |
Homo sapiens |
CHEMBL2394433 |
single protein format |
CHEMBL472452 |
OBDepict
Cl
N
HN
N
N
S
|
IC50 |
= |
350.0 |
nM |
264.74 |
Clc1cc(NCc2cccs2)n2nccc2n1 |
Homo sapiens |
CHEMBL995892 |
cell-based format |
CHEMBL489770 |
OBDepict
N
N
H
S
N
N
|
IC50 |
= |
543.0 |
nM |
254.32 |
c1ccc(Nc2nc(-c3ccccn3)cs2)nc1 |
Homo sapiens |
CHEMBL986170 |
cell-based format |
CHEMBL469732 |
OBDepict
Cl
N
N
H
N
N
H
3
C
H
|
IC50 |
= |
1000.0 |
nM |
272.74 |
C[C@@H](Nc1cc(Cl)nc2ccnn12)c1ccccc1 |
Homo sapiens |
CHEMBL995892 |
cell-based format |