Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125300'   

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))	BDBM50125300 ((S)-2-(3,4-Dimethoxy-benzenesulfonylamino)-3-[3'-(...) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)c2ccc(OC)c(OC)c2)C(O)=O)cc1 Show InChI InChI=1S/C27H31N3O7S/c1-4-14-28-27(33)29-21-7-5-6-20(16-21)19-10-8-18(9-11-19)15-23(26(31)32)30-38(34,35)22-12-13-24(36-2)25(17-22)37-3/h5-13,16-17,23,30H,4,14-15H2,1-3H3,(H,31,32)(H2,28,29,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Binding affinity towards vitronectin receptor (alpha V-beta3) was determined				Bioorg Med Chem Lett 13: 1071-4 (2003) BindingDB Entry DOI: 10.7270/Q2S46T44
					More data for this Ligand-Target Pair