Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb' and Ligand = 'BDBM50253778'   

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 (Homo sapiens (Human))	BDBM50253778 (2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-phen...) Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H22N4O4/c1-28-19-12-11-17(22(29)27-18-5-3-2-4-6-18)13-20(19)32-24(23(28)30)31-14-15-7-9-16(10-8-15)21(25)26/h2-13,24H,14H2,1H3,(H3,25,26)(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor				J Med Chem 51: 5617-29 (2008) Article DOI: 10.1021/jm8003448 BindingDB Entry DOI: 10.7270/Q2JQ10TZ
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