molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2426190 |
|
IC50 |
= |
100.0 |
nM |
356.8 |
N#Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1Cl |
Homo sapiens |
CHEMBL2428261 |
single protein format |
CHEMBL2426164 |
OBDepict
N
Br
N
H
N
H
O
N
S
N
N
|
IC50 |
= |
110.0 |
nM |
401.25 |
N#Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1Br |
Homo sapiens |
CHEMBL2428261 |
single protein format |
CHEMBL2426169 |
OBDepict
N
F
N
H
N
H
O
N
S
N
N
|
IC50 |
= |
300.0 |
nM |
340.34 |
N#Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1F |
Homo sapiens |
CHEMBL2428261 |
single protein format |
CHEMBL4633662 |
OBDepict
Cl
N
N
O
F
HN
CH
3
H
3
C
N
CH
3
CH
3
|
IC50 |
= |
800.0 |
nM |
499.07 |
CCN(CC)CCCNc1cc2nc(/C=C/c3ccc(C(C)C)cc3)n(CCCl)c(=O)c2cc1F |
Homo sapiens |
CHEMBL4625931 |
cell-based format |
CHEMBL2426165 |
OBDepict
N
Br
N
H
N
H
O
N
S
N
N
|
IC50 |
= |
910.0 |
nM |
401.25 |
N#Cc1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1Br |
Homo sapiens |
CHEMBL2428261 |
single protein format |
CHEMBL4075790 |
OBDepict
CH
3
N
CH
3
N
H
F
N
N
O
H
3
C
H
3
C
|
IC50 |
= |
950.0 |
nM |
462.61 |
CCN(CC)CCCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=Cc1ccc(C(C)C)cc1 |
Homo sapiens |
CHEMBL4320955 |
assay format |