Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50282599'   

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))	BDBM50282599 ((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCCn1ccnc1 Show InChI InChI=1S/C43H60N6O7S/c1-30(2)23-36(42(53)47-35(24-31-13-5-3-6-14-31)38(50)27-40(51)45-19-11-12-21-49-22-20-44-29-49)48-43(54)37(25-32-15-7-4-8-16-32)46-41(52)26-33-28-57(55,56)39-18-10-9-17-34(33)39/h4,7-10,15-18,20,22,29-31,33,35-38,50H,3,5-6,11-14,19,21,23-28H2,1-2H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33?,35-,36-,37-,38-/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	37	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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