Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ricin' and Ligand = 'BDBM50420406'   

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)	BDBM50420406 (CHEMBL2089313) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1ccc(o1)C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C23H20N8O4/c24-23-30-19-18(22(34)31-23)27-11-16(29-19)20(32)28-10-13-5-6-17(35-13)21(33)25-8-7-12-9-26-15-4-2-1-3-14(12)15/h1-6,9,11,26H,7-8,10H2,(H,25,33)(H,28,32)(H3,24,29,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay				ACS Med Chem Lett 3: 588-591 (2012) Article DOI: 10.1021/ml300099t BindingDB Entry DOI: 10.7270/Q2N29Z7B
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