BDBM25721 4-({6-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-3-yl}methyl)-N-methylpiperazine-1-carboxamide::aminothiazole analogue, 70

SMILES: CNC(=O)N1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1

InChI Key: InChIKey=BUJZOJYQGPNMOP-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25721   

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))	BDBM25721 (4-({6-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-3-y...) Show SMILES CNC(=O)N1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1 Show InChI InChI=1S/C16H19N7OS/c1-18-16(24)23-6-4-22(5-7-23)11-12-2-3-14(19-9-12)21-15-20-10-13(8-17)25-15/h2-3,9-10H,4-7,11H2,1H3,(H,18,24)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The biochemical activity of compounds was determined by incubation with Aurora A and substrates in the presence ATP/[gamma-33P] ATP. After incubatio...				ACS Chem Biol 3: 180-92 (2008) Article DOI: 10.1021/cb700200w BindingDB Entry DOI: 10.7270/Q2HX1B03
					More data for this Ligand-Target Pair