BDBM25722 2-({5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl}amino)-1,3-thiazole-5-carbonitrile::aminothiazole analogue, 71

SMILES: CN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1

InChI Key: InChIKey=FFWLWDCPCOHXKN-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 25722   

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))	BDBM25722 (2-({5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl...) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1 Show InChI InChI=1S/C15H18N6S/c1-20-4-6-21(7-5-20)11-12-2-3-14(17-9-12)19-15-18-10-13(8-16)22-15/h2-3,9-10H,4-7,11H2,1H3,(H,17,18,19)	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	3.80E+3	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