Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50072489'   

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))	BDBM50072489 (CHEMBL110459 | {(S)-7-[(1H-Imidazol-2-ylmethyl)-ca...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1ncc[nH]1 Show InChI InChI=1S/C17H19N5O4/c1-22-9-11-6-10(16(25)20-8-14-18-4-5-19-14)2-3-12(11)21-13(17(22)26)7-15(23)24/h2-6,13,21H,7-9H2,1H3,(H,18,19)(H,20,25)(H,23,24)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Affinity for alphaIIb-beta3 receptor				Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF
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