Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM50458631'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50458631 (CHEMBL4209229) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(cc(CN(C)C)c2F)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H24F5N3O3/c1-4-36-21-11-22(34)31-12-18(21)14-5-6-15(19(26)8-14)9-23(35)32-20-10-17(25(28,29)30)7-16(24(20)27)13-33(2)3/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,34)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
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