Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50421472'   

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))	BDBM50421472 (CHEMBL352388) Show SMILES CC[C@@H](NC(=O)c1ccc(cc1F)C(=N)N1CCSC1)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C25H35FN4O4S/c1-4-20(25(2,3)24(34)29-9-7-16(8-10-29)13-21(31)32)28-23(33)18-6-5-17(14-19(18)26)22(27)30-11-12-35-15-30/h5-6,14,16,20,27H,4,7-13,15H2,1-3H3,(H,28,33)(H,31,32)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against platelet aggregation				Bioorg Med Chem Lett 10: 859-63 (2000) BindingDB Entry DOI: 10.7270/Q2W95BFN
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