BDBM50293700 CHEMBL560630::N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)-6-(pyridin-4-yl)pyrimidin-2-ylthio)phenyl)propionamide

SMILES: CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1

InChI Key: InChIKey=PGYJINWZLJSDIT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50293700   

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))	BDBM50293700 (CHEMBL560630 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H21N7OS/c1-3-21(30)24-16-4-6-17(7-5-16)31-22-25-18(15-8-10-23-11-9-15)13-19(27-22)26-20-12-14(2)28-29-20/h4-13H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<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 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))	BDBM50293700 (CHEMBL560630 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...) Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1 Show InChI InChI=1S/C22H21N7OS/c1-3-21(30)24-16-4-6-17(7-5-16)31-22-25-18(15-8-10-23-11-9-15)13-19(27-22)26-20-12-14(2)28-29-20/h4-13H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	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