Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.6 BDBM50350938

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))	BDBM50350938 (CHEMBL1818047) Show SMILES COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1ccccc1Oc1ccccc1C |r| Show InChI InChI=1S/C30H42N2O5/c1-21-10-3-5-13-27(21)37-28-14-6-4-12-24(28)30(35,15-7-8-17-36-2)23-11-9-16-32(20-23)29(34)22-18-25(31)26(33)19-22/h3-6,10,12-14,22-23,25-26,33,35H,7-9,11,15-20,31H2,1-2H3/t22-,23+,25+,26-,30-/m0/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	2.70	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
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