Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125306'   

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))	BDBM50125306 ((S)-2-(2,3-Dichloro-benzenesulfonylamino)-3-[3'-(3...) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C(O)=O)cc1 Show InChI InChI=1S/C25H25Cl2N3O5S/c1-2-13-28-25(33)29-19-6-3-5-18(15-19)17-11-9-16(10-12-17)14-21(24(31)32)30-36(34,35)22-8-4-7-20(26)23(22)27/h3-12,15,21,30H,2,13-14H2,1H3,(H,31,32)(H2,28,29,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	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