Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.6 BDBM50350941

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))	BDBM50350941 (CHEMBL1818044) Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@@H]1CC[C@@H](N)C1)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C29H40N2O4/c1-34-19-8-7-17-29(33,26-13-5-6-14-27(26)35-25-11-3-2-4-12-25)23-10-9-18-31(21-23)28(32)22-15-16-24(30)20-22/h2-6,11-14,22-24,33H,7-10,15-21,30H2,1H3/t22-,23-,24-,29+/m1/s1	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	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluores...				Bioorg Med Chem Lett 21: 4836-43 (2011) Article DOI: 10.1016/j.bmcl.2011.06.043 BindingDB Entry DOI: 10.7270/Q25M663G
					More data for this Ligand-Target Pair