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BDBM50293674 CHEMBL565205::N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyquinazolin-4-amine

SMILES: Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1

InChI Key: InChIKey=HPMITVJMOXAXLV-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 = 50293674   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50293674
PNG
(CHEMBL565205 | N-(5-methyl-1H-pyrazol-3-yl)-2-phen...)
Show SMILES Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H15N5O/c1-12-11-16(23-22-12)20-17-14-9-5-6-10-15(14)19-18(21-17)24-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
PDB
MMDB

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PC cid
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Article
PubMed
36n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by coupled assay


Bioorg Med Chem Lett 19: 3586-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293674
PNG
(CHEMBL565205 | N-(5-methyl-1H-pyrazol-3-yl)-2-phen...)
Show SMILES Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H15N5O/c1-12-11-16(23-22-12)20-17-14-9-5-6-10-15(14)19-18(21-17)24-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
51n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 19: 3586-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50293674
PNG
(CHEMBL565205 | N-(5-methyl-1H-pyrazol-3-yl)-2-phen...)
Show SMILES Cc1cc(Nc2nc(Oc3ccccc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H15N5O/c1-12-11-16(23-22-12)20-17-14-9-5-6-10-15(14)19-18(21-17)24-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.29E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 19: 3586-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair