Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50037010'   

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))	BDBM50037010 (CHEMBL100949 | [3-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benz...) 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(=O)OCc1ccccc1 Show InChI InChI=1S/C48H74N4O9/c1-5-6-23-43(61-44(31-37-19-12-8-13-20-37)47(56)52-28-24-39(25-29-52)60-34-58-4)46(55)51-41(30-36-17-10-7-11-18-36)42(53)32-40(35(2)3)45(54)49-26-16-27-50-48(57)59-33-38-21-14-9-15-22-38/h8-9,12-15,19-22,35-36,39-44,53H,5-7,10-11,16-18,23-34H2,1-4H3,(H,49,54)(H,50,57)(H,51,55)/t40-,41-,42-,43-,44-/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	4.30	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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