Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50101755'   

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))	BDBM50101755 ((S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-{[5-(...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NC(=O)OCC12CC3CC(CC(C3)C1)C2 |t:17,TLB:32:33:37:31.30.36,THB:34:35:30:33.38.32,34:33:30:35.37.36,32:31:37:33.38.34| Show InChI InChI=1S/C27H37N5O6S/c33-22(32-25-28-6-1-7-29-25)5-3-19-2-4-21(39-19)23(34)30-14-20(24(35)36)31-26(37)38-15-27-11-16-8-17(12-27)10-18(9-16)13-27/h2,4,16-18,20H,1,3,5-15H2,(H,30,34)(H,31,37)(H,35,36)(H2,28,29,32,33)/t16?,17?,18?,20-,27?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	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 Kistrin to Vitronectin receptor (alpha V beta 3) 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))	BDBM50101755 ((S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-{[5-(...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NC(=O)OCC12CC3CC(CC(C3)C1)C2 |t:17,TLB:32:33:37:31.30.36,THB:34:35:30:33.38.32,34:33:30:35.37.36,32:31:37:33.38.34| Show InChI InChI=1S/C27H37N5O6S/c33-22(32-25-28-6-1-7-29-25)5-3-19-2-4-21(39-19)23(34)30-14-20(24(35)36)31-26(37)38-15-27-11-16-8-17(12-27)10-18(9-16)13-27/h2,4,16-18,20H,1,3,5-15H2,(H,30,34)(H,31,37)(H,35,36)(H2,28,29,32,33)/t16?,17?,18?,20-,27?/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