Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50282607'   

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))	BDBM50282607 ((3S,4S)-5-Cyclohexyl-4-((S)-2-{(S)-2-[2-(1,1-dioxo...) Show SMILES CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC1CS(=O)(=O)c2ccccc12 Show InChI InChI=1S/C41H60N4O7S/c1-27(2)19-20-42-38(47)25-36(46)33(22-29-13-7-5-8-14-29)44-40(49)34(21-28(3)4)45-41(50)35(23-30-15-9-6-10-16-30)43-39(48)24-31-26-53(51,52)37-18-12-11-17-32(31)37/h6,9-12,15-18,27-29,31,33-36,46H,5,7-8,13-14,19-26H2,1-4H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)/t31?,33-,34-,35-,36-/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	10	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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