Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50036995'   

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))	BDBM50036995 (1N-[3-methylamino(cyano imino)methylaminopropyl]-5...) 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)NCCCNC(NC)=NC#N |w:54.57| Show InChI InChI=1S/C43H71N7O7/c1-6-7-19-38(57-39(27-33-17-12-9-13-18-33)42(54)50-24-20-34(21-25-50)56-30-55-5)41(53)49-36(26-32-15-10-8-11-16-32)37(51)28-35(31(2)3)40(52)46-22-14-23-47-43(45-4)48-29-44/h9,12-13,17-18,31-32,34-39,51H,6-8,10-11,14-16,19-28,30H2,1-5H3,(H,46,52)(H,49,53)(H2,45,47,48)/t35-,36-,37-,38-,39-/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	1.30	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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