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BDBM50310471 4-(1-cyclobutyl-5-methoxy-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine::CHEMBL1080072

SMILES: COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

InChI Key: InChIKey=PEWIXJYBHWXEPB-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 = 50310471   
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))
BDBM50310471
PNG
(4-(1-cyclobutyl-5-methoxy-1H-benzo[d]imidazol-2-yl...)
Show SMILES COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Show InChI InChI=1S/C14H15N5O2/c1-20-9-5-6-11-10(7-9)16-14(12-13(15)18-21-17-12)19(11)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,15,18)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
39n/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))
BDBM50310471
PNG
(4-(1-cyclobutyl-5-methoxy-1H-benzo[d]imidazol-2-yl...)
Show SMILES COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Show InChI InChI=1S/C14H15N5O2/c1-20-9-5-6-11-10(7-9)16-14(12-13(15)18-21-17-12)19(11)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,15,18)
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460n/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))
BDBM50310471
PNG
(4-(1-cyclobutyl-5-methoxy-1H-benzo[d]imidazol-2-yl...)
Show SMILES COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Show InChI InChI=1S/C14H15N5O2/c1-20-9-5-6-11-10(7-9)16-14(12-13(15)18-21-17-12)19(11)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,15,18)
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940n/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))
BDBM50310471
PNG
(4-(1-cyclobutyl-5-methoxy-1H-benzo[d]imidazol-2-yl...)
Show SMILES COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N
Show InChI InChI=1S/C14H15N5O2/c1-20-9-5-6-11-10(7-9)16-14(12-13(15)18-21-17-12)19(11)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,15,18)
PDB
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2.50E+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