Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50101770'   

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))	BDBM50101770 ((S)-2-(Biphenyl-4-sulfonylamino)-3-({5-[2-(1,4,5,6...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |t:17| Show InChI InChI=1S/C27H29N5O6S2/c33-24(31-27-28-15-4-16-29-27)14-10-20-9-13-23(39-20)25(34)30-17-22(26(35)36)32-40(37,38)21-11-7-19(8-12-21)18-5-2-1-3-6-18/h1-3,5-9,11-13,22,32H,4,10,14-17H2,(H,30,34)(H,35,36)(H2,28,29,31,33)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50101770 ((S)-2-(Biphenyl-4-sulfonylamino)-3-({5-[2-(1,4,5,6...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |t:17| Show InChI InChI=1S/C27H29N5O6S2/c33-24(31-27-28-15-4-16-29-27)14-10-20-9-13-23(39-20)25(34)30-17-22(26(35)36)32-40(37,38)21-11-7-19(8-12-21)18-5-2-1-3-6-18/h1-3,5-9,11-13,22,32H,4,10,14-17H2,(H,30,34)(H,35,36)(H2,28,29,31,33)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50%				Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930
					More data for this Ligand-Target Pair