Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ricin' and Ligand = 'BDBM50445063'   

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
Ricin (Ricinus communis)	BDBM50445063 (CHEMBL3098907) Show SMILES COc1ccc(CCNC(=O)CNC(=O)c2cnc3c(nc(N)[nH]c3=O)n2)cc1OC Show InChI InChI=1S/C19H21N7O5/c1-30-12-4-3-10(7-13(12)31-2)5-6-21-14(27)9-23-17(28)11-8-22-15-16(24-11)25-19(20)26-18(15)29/h3-4,7-8H,5-6,9H2,1-2H3,(H,21,27)(H,23,28)(H3,20,24,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay				Bioorg Med Chem Lett 23: 6799-804 (2014) BindingDB Entry DOI: 10.7270/Q2H41SW6
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