BDBM5291 2-[(4-{[4-(2-hydroxyacetyl)piperazin-1-yl]methyl}pyridin-2-yl)amino]-1,3-thiazole-5-carbonitrile::2-{4-[4-(2-Hydroxyethanoyl)piperazin-1-ylmethyl]pyridin-2-ylamino}thiazole-5-carbonitrile::N-(1,3-Thiazol-2-yl)pyridin-2-amine 21

SMILES: OCC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1

InChI Key: InChIKey=WUAWDHDGRGQQSS-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 = 5291   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5291 (2-[(4-{[4-(2-hydroxyacetyl)piperazin-1-yl]methyl}p...) Show SMILES OCC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1 Show InChI InChI=1S/C16H18N6O2S/c17-8-13-9-19-16(25-13)20-14-7-12(1-2-18-14)10-21-3-5-22(6-4-21)15(24)11-23/h1-2,7,9,23H,3-6,10-11H2,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				J Med Chem 47: 6363-72 (2004) Article DOI: 10.1021/jm049697f BindingDB Entry DOI: 10.7270/Q2PG1PXD
					More data for this Ligand-Target Pair