Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50127938'   

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))	BDBM50127938 (3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C27H30N6O4/c34-24(32-22(13-25(35)36)19-4-1-11-28-14-19)16-33-23(17-5-6-17)10-9-21(27(33)37)30-15-20-8-7-18-3-2-12-29-26(18)31-20/h1,4,7-11,14,17,22,30H,2-3,5-6,12-13,15-16H2,(H,29,31)(H,32,34)(H,35,36)/t22-/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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
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