Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 542.5 BDBM29937

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))	BDBM29937 (piperidine-1-carboxamide, 7k) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C28H45Cl2N3O3/c1-3-35-16-9-17-36-27(24-13-7-14-25(29)26(24)30)22-12-8-15-33(20-22)28(34)32-23(19-31-2)18-21-10-5-4-6-11-21/h7,13-14,21-23,27,31H,3-6,8-12,15-20H2,1-2H3,(H,32,34)/t22-,23+,27-/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	125	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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