BDBM50003189 CHEMBL122919::N-(6-Cyclohexylmethyl-7-hydroxy-10-morpholin-4-ylmethyl-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-yl)-2-phenoxy-acetamide

SMILES: O[C@@H]1[C@H](CC2CCCCC2)NC(=O)[C@H](COC(=O)CCC[C@H](CN2CCOCC2)OC1=O)NC(=O)COc1ccccc1

InChI Key: InChIKey=PLGNSUDOWASPAQ-DAMQTCOWSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50003189   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50003189 (CHEMBL122919 | N-(6-Cyclohexylmethyl-7-hydroxy-10-...) Show SMILES O[C@@H]1[C@H](CC2CCCCC2)NC(=O)[C@H](COC(=O)CCC[C@H](CN2CCOCC2)OC1=O)NC(=O)COc1ccccc1 Show InChI InChI=1S/C31H45N3O9/c35-27(21-41-23-10-5-2-6-11-23)32-26-20-42-28(36)13-7-12-24(19-34-14-16-40-17-15-34)43-31(39)29(37)25(33-30(26)38)18-22-8-3-1-4-9-22/h2,5-6,10-11,22,24-26,29,37H,1,3-4,7-9,12-21H2,(H,32,35)(H,33,38)/t24-,25+,26+,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	7.4	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				J Med Chem 35: 3755-73 (1992) BindingDB Entry DOI: 10.7270/Q26W9BPZ
					More data for this Ligand-Target Pair