Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb' and Ligand = 'BDBM50253717'   

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))	BDBM50253717 (CHEMBL461191 | Ethyl 3-[2-(4-Carbamimidoylbenzylox...) Show SMILES CCOC(=O)C(C(=O)Nc1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O6/c1-3-36-27(35)23(18-7-5-4-6-8-18)25(33)31-20-13-14-21-22(15-20)38-28(26(34)32(21)2)37-16-17-9-11-19(12-10-17)24(29)30/h4-15,23,28H,3,16H2,1-2H3,(H3,29,30)(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+3	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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