Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50036989'   

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))	BDBM50036989 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNc1nnc(N)[nH]1 Show InChI InChI=1S/C42H70N8O7/c1-5-6-18-36(57-37(26-31-16-11-8-12-17-31)40(54)50-23-19-32(20-24-50)56-28-55-4)39(53)46-34(25-30-14-9-7-10-15-30)35(51)27-33(29(2)3)38(52)44-21-13-22-45-42-47-41(43)48-49-42/h8,11-12,16-17,29-30,32-37,51H,5-7,9-10,13-15,18-28H2,1-4H3,(H,44,52)(H,46,53)(H4,43,45,47,48,49)/t33-,34-,35-,36-,37-/m0/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	1.70	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
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