Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.6 BDBM29934

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

Found 3 hits 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))	BDBM29934 (piperidine-1-carboxamide, 7h) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r| Show InChI InChI=1S/C28H47N3O3/c1-3-33-18-11-19-34-27(24-14-8-5-9-15-24)25-16-10-17-31(22-25)28(32)30-26(21-29-2)20-23-12-6-4-7-13-23/h5,8-9,14-15,23,25-27,29H,3-4,6-7,10-13,16-22H2,1-2H3,(H,30,32)/t25-,26+,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	40	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
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM29934 (piperidine-1-carboxamide, 7h) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r| Show InChI InChI=1S/C28H47N3O3/c1-3-33-18-11-19-34-27(24-14-8-5-9-15-24)25-16-10-17-31(22-25)28(32)30-26(21-29-2)20-23-12-6-4-7-13-23/h5,8-9,14-15,23,25-27,29H,3-4,6-7,10-13,16-22H2,1-2H3,(H,30,32)/t25-,26+,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	40	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM29934 (piperidine-1-carboxamide, 7h) Show SMILES [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r| Show InChI InChI=1S/C28H47N3O3/c1-3-33-18-11-19-34-27(24-14-8-5-9-15-24)25-16-10-17-31(22-25)28(32)30-26(21-29-2)20-23-12-6-4-7-13-23/h5,8-9,14-15,23,25-27,29H,3-4,6-7,10-13,16-22H2,1-2H3,(H,30,32)/t25-,26+,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	447	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant renin assessed as decrease in plasma renin activity by competitive radioimmunoassay in presence of human plasma				Bioorg Med Chem Lett 20: 694-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.066 BindingDB Entry DOI: 10.7270/Q24Q7V20
					More data for this Ligand-Target Pair