Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50111401'   

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))	BDBM50111401 ((S)-2-Benzyloxycarbonylamino-5-oxo-5-(2-pyridin-4-...) Show SMILES OC(=O)[C@H](CCC(=O)N1CCC2(CCN(C2)c2ccncc2)CC1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H32N4O5/c31-23(7-6-22(24(32)33)28-25(34)35-18-20-4-2-1-3-5-20)29-15-10-26(11-16-29)12-17-30(19-26)21-8-13-27-14-9-21/h1-5,8-9,13-14,22H,6-7,10-12,15-19H2,(H,28,34)(H,32,33)/t22-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.				Bioorg Med Chem Lett 12: 1103-7 (2002) BindingDB Entry DOI: 10.7270/Q2H131BN
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