Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-5' and Ligand = 'BDBM50399916'   

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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50399916 (CHEMBL2180980) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@@H]-2-[#7](-[#6]-c3ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc3)-[#6](=O)-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7]-[#6]-2=O |r| Show InChI InChI=1S/C31H42N10O11/c32-31(33)34-9-1-2-18-27(49)37-14-24(44)39-19(10-26(47)48)28(50)36-13-20-30(52)41(21(29(51)40-20)11-23(43)38-18)15-17-5-3-16(4-6-17)12-35-22(42)7-8-25(45)46/h3-6,18-21H,1-2,7-15H2,(H,35,42)(H,36,50)(H,37,49)(H,38,43)(H,39,44)(H,40,51)(H,45,46)(H,47,48)(H4,32,33,34)/t18-,19-,20+,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta5 receptor after 3 hrs by microplate reader analysis				J Med Chem 55: 10460-74 (2012) Article DOI: 10.1021/jm301058f BindingDB Entry DOI: 10.7270/Q2WD41Q5
					More data for this Ligand-Target Pair