BDBM50293685 2-(3,4-dimethoxyphenylthio)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine::CHEMBL564290

SMILES: COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC

InChI Key: InChIKey=LPIMYXVAEGCNPJ-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 = 50293685   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	BDBM50293685 (2-(3,4-dimethoxyphenylthio)-N-(5-methyl-1H-pyrazol...) Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC Show InChI InChI=1S/C20H19N5O2S/c1-12-10-18(25-24-12)22-19-14-6-4-5-7-15(14)21-20(23-19)28-13-8-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Aurora kinase B (Homo sapiens (Human))	BDBM50293685 (2-(3,4-dimethoxyphenylthio)-N-(5-methyl-1H-pyrazol...) Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC Show InChI InChI=1S/C20H19N5O2S/c1-12-10-18(25-24-12)22-19-14-6-4-5-7-15(14)21-20(23-19)28-13-8-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H2,21,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50293685 (2-(3,4-dimethoxyphenylthio)-N-(5-methyl-1H-pyrazol...) Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC Show InChI InChI=1S/C20H19N5O2S/c1-12-10-18(25-24-12)22-19-14-6-4-5-7-15(14)21-20(23-19)28-13-8-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50293685 (2-(3,4-dimethoxyphenylthio)-N-(5-methyl-1H-pyrazol...) Show SMILES COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC Show InChI InChI=1S/C20H19N5O2S/c1-12-10-18(25-24-12)22-19-14-6-4-5-7-15(14)21-20(23-19)28-13-8-9-16(26-2)17(11-13)27-3/h4-11H,1-3H3,(H2,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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