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BDBM50310465 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imidazol-1-yl)benzonitrile::CHEMBL1078538

SMILES: Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N

InChI Key: InChIKey=SGHQPTXSHFASJK-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50310465   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50310465
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imi...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N6O/c17-9-10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
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Article
PubMed
800n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.022
BindingDB Entry DOI: 10.7270/Q2KP8287
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50310465
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imi...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N6O/c17-9-10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.022
BindingDB Entry DOI: 10.7270/Q2KP8287
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50310465
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imi...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N6O/c17-9-10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
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PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.022
BindingDB Entry DOI: 10.7270/Q2KP8287
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50310465
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imi...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H10N6O/c17-9-10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,(H2,18,21)
PDB
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NCI pathway
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KEGG

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UniChem

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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha assessed as decrease in NADH absorbance at 340 nm in the presence of


Bioorg Med Chem Lett 19: 5191-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.022
BindingDB Entry DOI: 10.7270/Q2KP8287
More data for this
Ligand-Target Pair