Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50140177'   

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))	BDBM50140177 (CHEMBL3752070) Show SMILES [H][C@@]12N[C@@H](CC(O)=O)C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@]1([H])[C@H]2C(=O)OCC)C(C)C |r| Show InChI InChI=1S/C23H37N7O8/c1-4-38-22(37)16-15-18(16)28-12(8-14(32)33)13(31)9-27-19(34)11(6-5-7-26-23(24)25)29-21(36)17(10(2)3)30-20(15)35/h10-12,15-18,28H,4-9H2,1-3H3,(H,27,34)(H,29,36)(H,30,35)(H,32,33)(H4,24,25,26)/t11-,12-,15+,16+,17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Binding affinity to integrin alphav/beta3 heterodimer (unknown origin) assessed as inhibition of integrin-mediated cell adhesion to vitronectin				Bioorg Med Chem 24: 703-11 (2016) Article DOI: 10.1016/j.bmc.2015.12.039 BindingDB Entry DOI: 10.7270/Q2KD20S3
					More data for this Ligand-Target Pair