Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.4 BDBM50352996

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))	BDBM50352996 (CHEMBL1825182) Show SMILES O=C(N1CCNCC1)c1c(Cc2ccccc2)n(-c2ccccc2)c2cnccc12 Show InChI InChI=1S/C25H24N4O/c30-25(28-15-13-26-14-16-28)24-21-11-12-27-18-23(21)29(20-9-5-2-6-10-20)22(24)17-19-7-3-1-4-8-19/h1-12,18,26H,13-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	761	n/a	n/a	n/a	n/a	n/a	n/a
Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...				Bioorg Med Chem Lett 21: 5480-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.114 BindingDB Entry DOI: 10.7270/Q2HH6KFK
					More data for this Ligand-Target Pair				3D Structure (docked)