molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4472697 |
|
IC50 |
= |
280.0 |
nM |
479.25 |
CCOP(=O)(CC)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1 |
Homo sapiens |
CHEMBL4408557 |
assay format |
CHEMBL4791168 |
OBDepict
HO
N
N
H
N
O
N
H
N
Br
F
N
H
P
O
O
CH
3
CH
3
|
IC50 |
= |
310.0 |
nM |
465.22 |
COP(C)(=O)NCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1 |
Homo sapiens |
CHEMBL4734659 |
assay format |
CHEMBL432537 |
OBDepict
_
O
+
N
O
N
O
N
O
|
IC50 |
= |
450.0 |
nM |
293.24 |
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1ccccc1c2=O |
Homo sapiens |
CHEMBL3872639 |
cell-based format |
CHEMBL4514196 |
OBDepict
OH
N
N
H
N
O
N
H
N
Br
N
H
F
P
O
O
CH
3
CH
3
|
IC50 |
= |
490.0 |
nM |
451.19 |
COP(C)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1 |
Homo sapiens |
CHEMBL4408557 |
assay format |
CHEMBL4436582 |
OBDepict
OH
N
N
H
N
O
N
H
N
Br
F
N
H
P
O
O
CH
3
CH
3
|
IC50 |
= |
590.0 |
nM |
479.25 |
COP(C)(=O)NCCCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1 |
Homo sapiens |
CHEMBL4408557 |
assay format |
CHEMBL3545369 |
OBDepict
OH
N
N
H
N
O
N
H
N
Br
N
H
F
S
O
O
NH
2
|
IC50 |
= |
710.0 |
nM |
438.24 |
NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1 |
Homo sapiens |
CHEMBL4408557 |
assay format |
CHEMBL432537 |
OBDepict
_
O
+
N
O
N
O
N
O
|
Ki |
= |
970.0 |
nM |
293.24 |
O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1ccccc1c2=O |
Homo sapiens |
CHEMBL3872634 |
assay format |
CHEMBL4288032 |
OBDepict
H
2
N
O
N
H
N
Cl
F
|
IC50 |
< |
1000.0 |
nM |
277.69 |
Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1 |
Homo sapiens |
CHEMBL4257088 |
assay format |
CHEMBL4279060 |
OBDepict
NH
2
O
N
H
N
F
N
F
|
IC50 |
< |
1000.0 |
nM |
338.32 |
Nc1oc2c(-c3ccncc3)nccc2c1Nc1ccc(F)c(F)c1 |
Homo sapiens |
CHEMBL4257088 |
assay format |