Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-1' and Ligand = 'BDBM50421658'   

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-1 (Homo sapiens (Human))	BDBM50421658 (CHEMBL2111839) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@]2(C[C@@H](CNC3N=CC=N3)N(C2)C(=O)OCc2ccccc2)C1)C(O)=O |c:28,30,t:19| Show InChI InChI=1S/C31H37N7O8S/c1-19-11-20(2)26(21(3)12-19)47(43,44)37-25(28(40)41)16-34-27(39)24-14-31(46-36-24)13-23(15-35-29-32-9-10-33-29)38(18-31)30(42)45-17-22-7-5-4-6-8-22/h4-12,23,25,29,35,37H,13-18H2,1-3H3,(H,34,39)(H,40,41)/t23-,25-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Alpha-5 beta-1 antagonism using an ELISA assay				Bioorg Med Chem Lett 14: 383-7 (2003) BindingDB Entry DOI: 10.7270/Q2571BFX
					More data for this Ligand-Target Pair