Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ricin' and Ligand = 'BDBM50420412'   

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)	BDBM50420412 (CHEMBL2089328) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(Cc2cccc3ccccc23)nn1 Show InChI InChI=1S/C21H17N9O2/c22-21-26-18-17(20(32)27-21)23-9-16(25-18)19(31)24-8-14-11-30(29-28-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,9,11H,8,10H2,(H,24,31)(H3,22,25,26,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+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
					More data for this Ligand-Target Pair