Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50085011'   

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-3 (Homo sapiens (Human))	BDBM50085011 (2-Benzyloxycarbonylamino-3-(2-{(S)-4-[3-(4,5-dihyd...) Show SMILES Oc1c(CCCNC2=NCCN2)[nH]c(=O)n1CC(=O)NCC(NC(=O)OCc1ccccc1)C([O-])=O |t:7| Show InChI InChI=1S/C22H29N7O7/c30-17(26-11-16(19(32)33)28-22(35)36-13-14-5-2-1-3-6-14)12-29-18(31)15(27-21(29)34)7-4-8-23-20-24-9-10-25-20/h1-3,5-6,16,31H,4,7-13H2,(H,26,30)(H,27,34)(H,28,35)(H,32,33)(H2,23,24,25)/p-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Deutschland GmhH Curated by ChEMBL					Assay Description Inhibition of Kistrin binding to integrin alphaV-beta3				Bioorg Med Chem Lett 10: 179-82 (2000) BindingDB Entry DOI: 10.7270/Q290249V
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