Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 677.8 BDBM50024191

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))	BDBM50024191 (4-(2-{4-[2-(2-Amino-3-phenyl-propionylamino)-hexan...) Show SMILES CCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC |r| Show InChI InChI=1S/C35H59N5O8/c1-8-9-15-26(38-34(46)25(36)18-24-13-11-10-12-14-24)35(47)40-27(16-21(2)3)29(41)19-31(43)37-23(6)33(45)39-28(17-22(4)5)30(42)20-32(44)48-7/h10-14,21-23,25-30,41-42H,8-9,15-20,36H2,1-7H3,(H,37,43)(H,38,46)(H,39,45)(H,40,47)	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	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
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