Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.7 BDBM29945

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))	BDBM29945 (piperidine-1-carboxamide, 21h) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(C)c1 |r| Show InChI InChI=1S/C29H49N3O3/c1-23-11-9-14-25(19-23)29(34,16-7-8-18-35-3)26-15-10-17-32(22-26)28(33)31-27(21-30-2)20-24-12-5-4-6-13-24/h9,11,14,19,24,26-27,30,34H,4-8,10,12-13,15-18,20-22H2,1-3H3,(H,31,33)/t26-,27+,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.0	22
Vitae Pharmaceuticals					Assay Description The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The...				Bioorg Med Chem Lett 19: 3541-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.140 BindingDB Entry DOI: 10.7270/Q2D21VXV
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