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BDBM50310477 4-(1-isobutyl-4-methyl-1H-imidazol-2-yl)-1,2,5-oxadiazol-3-amine::CHEMBL1077670

SMILES: CC(C)Cn1cc(C)nc1-c1nonc1N

InChI Key: InChIKey=VJPQVJGSYWEPEZ-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 = 50310477   
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))
BDBM50310477
PNG
(4-(1-isobutyl-4-methyl-1H-imidazol-2-yl)-1,2,5-oxa...)
Show SMILES CC(C)Cn1cc(C)nc1-c1nonc1N
Show InChI InChI=1S/C10H15N5O/c1-6(2)4-15-5-7(3)12-10(15)8-9(11)14-16-13-8/h5-6H,4H2,1-3H3,(H2,11,14)
PDB
MMDB

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Article
PubMed
340n/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))
BDBM50310477
PNG
(4-(1-isobutyl-4-methyl-1H-imidazol-2-yl)-1,2,5-oxa...)
Show SMILES CC(C)Cn1cc(C)nc1-c1nonc1N
Show InChI InChI=1S/C10H15N5O/c1-6(2)4-15-5-7(3)12-10(15)8-9(11)14-16-13-8/h5-6H,4H2,1-3H3,(H2,11,14)
PDB
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Article
PubMed
690n/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))
BDBM50310477
PNG
(4-(1-isobutyl-4-methyl-1H-imidazol-2-yl)-1,2,5-oxa...)
Show SMILES CC(C)Cn1cc(C)nc1-c1nonc1N
Show InChI InChI=1S/C10H15N5O/c1-6(2)4-15-5-7(3)12-10(15)8-9(11)14-16-13-8/h5-6H,4H2,1-3H3,(H2,11,14)
PDB
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Article
PubMed
>3.30E+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))
BDBM50310477
PNG
(4-(1-isobutyl-4-methyl-1H-imidazol-2-yl)-1,2,5-oxa...)
Show SMILES CC(C)Cn1cc(C)nc1-c1nonc1N
Show InChI InChI=1S/C10H15N5O/c1-6(2)4-15-5-7(3)12-10(15)8-9(11)14-16-13-8/h5-6H,4H2,1-3H3,(H2,11,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>3.30E+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