Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50077681'   

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))	BDBM50077681 (4-Methoxy-N-{4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)...) Show SMILES COc1ccc(cc1)C(=O)NCc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C31H32N2O3/c1-35-28-14-12-26(13-15-28)31(34)33-19-22-6-10-25(11-7-22)29-16-17-32-20-30(29)36-21-23-8-9-24-4-2-3-5-27(24)18-23/h2-15,18,29-30,32H,16-17,19-21H2,1H3,(H,33,34)/t29-,30+/m1/s1	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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
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