Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50046805'   

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))	BDBM50046805 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N(C)CCc1ccccn1 Show InChI InChI=1S/C38H55N5O6S2/c1-27(2)20-35(44)36(45)33(22-29-14-8-5-9-15-29)41-38(47)34(23-32-24-50-26-40-32)42-37(46)30(21-28-12-6-4-7-13-28)25-51(48,49)43(3)19-17-31-16-10-11-18-39-31/h4,6-7,10-13,16,18,24,26-27,29-30,33-36,44-45H,5,8-9,14-15,17,19-23,25H2,1-3H3,(H,41,47)(H,42,46)/t30-,33+,34+,35+,36-/m1/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	1.80	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human plasma renin at pH 7.4				J Med Chem 36: 460-7 (1993) BindingDB Entry DOI: 10.7270/Q2VT1R5C
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