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BDBM50293684 2-(4-methoxyphenylthio)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine::CHEMBL552500

SMILES: COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1

InChI Key: InChIKey=KJVHTJKPBZOBPJ-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50293684   
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
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50293684
PNG
(2-(4-methoxyphenylthio)-N-(5-methyl-1H-pyrazol-3-y...)
Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H17N5OS/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)26-14-9-7-13(25-2)8-10-14/h3-11H,1-2H3,(H2,20,21,22,23,24)
PDB
MMDB

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Article
PubMed
9n/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)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50293684
PNG
(2-(4-methoxyphenylthio)-N-(5-methyl-1H-pyrazol-3-y...)
Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H17N5OS/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)26-14-9-7-13(25-2)8-10-14/h3-11H,1-2H3,(H2,20,21,22,23,24)
PDB
MMDB

NCI pathway
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KEGG

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DrugBank
antibodypedia
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CHEMBL
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PC sid
UniChem

Patents


Similars

Article
PubMed
124n/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)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50293684
PNG
(2-(4-methoxyphenylthio)-N-(5-methyl-1H-pyrazol-3-y...)
Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H17N5OS/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)26-14-9-7-13(25-2)8-10-14/h3-11H,1-2H3,(H2,20,21,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
575n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


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

More data for this
Ligand-Target Pair