Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 662.8 BDBM50002982

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50002982 (CHEMBL333707 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CCOc1ccccn1 Show InChI InChI=1S/C36H50N6O6/c1-36(2,3)48-35(46)42-29(21-26-14-8-5-9-15-26)33(44)41-30(22-27-23-37-24-39-27)34(45)40-28(20-25-12-6-4-7-13-25)31(43)17-19-47-32-16-10-11-18-38-32/h5,8-11,14-16,18,23-25,28-31,43H,4,6-7,12-13,17,19-22H2,1-3H3,(H,37,39)(H,40,45)(H,41,44)(H,42,46)/t28?,29-,30-,31?/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	750	n/a	n/a	n/a	n/a	5.5	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
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