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:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50293684   

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))	BDBM50293684 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50293684 (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	124	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
Aurora kinase B (Homo sapiens (Human))	BDBM50293684 (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	575	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