Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM32390'   

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))	BDBM32390 (iso-butyl-substituted sulfonamide, 9a) Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	25
Philipps-University Marburg					Assay Description Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...				Bioorg Med Chem 16: 8574-86 (2008) Article DOI: 10.1016/j.bmc.2008.08.012 BindingDB Entry DOI: 10.7270/Q2639N2P
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