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BDBM50293680 2-(2,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine::CHEMBL551633

SMILES: Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1

InChI Key: InChIKey=HWUIJIOSFJIUGC-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50293680   
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))
BDBM50293680
PNG
(2-(2,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25)
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Article
PubMed
2n/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))
BDBM50293680
PNG
(2-(2,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25)
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UniChem

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Article
PubMed
8n/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
Aurora kinase B


(Homo sapiens (Human))
BDBM50293680
PNG
(2-(2,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25)
PDB

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Article
PubMed
>1.10E+3n/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)


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