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BDBM50310469 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-cyclobutyl-1H-benzo[d]imidazol-5-ol::CHEMBL1079032

SMILES: Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1

InChI Key: InChIKey=WLLKDVLVMGFFIJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50310469   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50310469
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-cyclobutyl-1H-b...)
Show SMILES Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1
Show InChI InChI=1S/C13H13N5O2/c14-12-11(16-20-17-12)13-15-9-6-8(19)4-5-10(9)18(13)7-2-1-3-7/h4-7,19H,1-3H2,(H2,14,17)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10E+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))
BDBM50310469
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-cyclobutyl-1H-b...)
Show SMILES Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1
Show InChI InChI=1S/C13H13N5O2/c14-12-11(16-20-17-12)13-15-9-6-8(19)4-5-10(9)18(13)7-2-1-3-7/h4-7,19H,1-3H2,(H2,14,17)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20E+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))
BDBM50310469
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-cyclobutyl-1H-b...)
Show SMILES Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1
Show InChI InChI=1S/C13H13N5O2/c14-12-11(16-20-17-12)13-15-9-6-8(19)4-5-10(9)18(13)7-2-1-3-7/h4-7,19H,1-3H2,(H2,14,17)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80E+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