Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50282597'   

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))	BDBM50282597 ((3S,4S)-5-Cyclohexyl-3-hydroxy-4-((S)-4-methyl-2-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)CSc2ccncc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1 Show InChI InChI=1S/C43H60N8O6S/c1-30(2)23-34(42(56)48-33(24-31-11-5-3-6-12-31)37(52)26-40(54)46-17-10-20-50-22-19-45-29-50)49-43(57)35(25-32-13-7-4-8-14-32)47-39(53)15-9-21-51-36-27-44-18-16-38(36)58-28-41(51)55/h4,7-8,13-14,16,18-19,22,27,29-31,33-35,37,52H,3,5-6,9-12,15,17,20-21,23-26,28H2,1-2H3,(H,46,54)(H,47,53)(H,48,56)(H,49,57)/t33-,34-,35-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin at pH 65.0				Bioorg Med Chem Lett 4: 1291-1296 (1994) Article DOI: 10.1016/S0960-894X(01)80347-4 BindingDB Entry DOI: 10.7270/Q2C8297D
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