Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50076052'   

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))	BDBM50076052 ((S)-3-[4-(5-Amino-pentyloxy)-benzoylamino]-2-benze...) Show SMILES NCCCCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C21H27N3O6S/c22-13-5-2-6-14-30-17-11-9-16(10-12-17)20(25)23-15-19(21(26)27)24-31(28,29)18-7-3-1-4-8-18/h1,3-4,7-12,19,24H,2,5-6,13-15,22H2,(H,23,25)(H,26,27)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets				Bioorg Med Chem Lett 9: 863-8 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1JSK
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