Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50101760'   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50101760 ((S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-{[5-(...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(s1)C1CC1C(=O)NC1=NCCCN1)NC(=O)OCC12CC3CC(CC(C3)C1)C2 |t:21,TLB:33:34:38:32.31.37,THB:35:34:31:36.38.37,35:36:31:34.39.33,33:32:38:34.39.35| Show InChI InChI=1S/C28H37N5O6S/c34-23(33-26-29-4-1-5-30-26)19-9-18(19)21-2-3-22(40-21)24(35)31-13-20(25(36)37)32-27(38)39-14-28-10-15-6-16(11-28)8-17(7-15)12-28/h2-3,15-20H,1,4-14H2,(H,31,35)(H,32,38)(H,36,37)(H2,29,30,33,34)/t15?,16?,17?,18?,19?,20-,28?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.80E+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 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