Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50084669'   

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
Renin (Homo sapiens (Human))	BDBM50084669 (8-(4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1CCNCC1OCc1cccc2CCCNc12 Show InChI InChI=1S/C32H40N2O4/c1-35-30-11-3-2-7-26(30)22-36-19-6-20-37-28-14-12-24(13-15-28)29-16-18-33-21-31(29)38-23-27-9-4-8-25-10-5-17-34-32(25)27/h2-4,7-9,11-15,29,31,33-34H,5-6,10,16-23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory concentration against Renin				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
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