BDBM50173065 (R)-1-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-6-(pyridin-3-ylmethoxymethyl)-piperazin-2-one::CHEMBL539164

SMILES: COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COCc2cccnc2)CNCC1=O

InChI Key: InChIKey=WPYDZJMOARSIDS-RUZDIDTESA-N

Data: 2 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 2 hits for monomerid = 50173065   

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))	BDBM50173065 ((R)-1-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COCc2cccnc2)CNCC1=O Show InChI InChI=1S/C28H33N3O5/c1-33-27-8-3-2-7-23(27)20-34-14-5-15-36-26-11-9-24(10-12-26)31-25(17-30-18-28(31)32)21-35-19-22-6-4-13-29-16-22/h2-4,6-13,16,25,30H,5,14-15,17-21H2,1H3/t25-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corp Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in buffer				J Med Chem 53: 7490-520 (2010) Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50173065 ((R)-1-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COCc2cccnc2)CNCC1=O Show InChI InChI=1S/C28H33N3O5/c1-33-27-8-3-2-7-23(27)20-34-14-5-15-36-26-11-9-24(10-12-26)31-25(17-30-18-28(31)32)21-35-19-22-6-4-13-29-16-22/h2-4,6-13,16,25,30H,5,14-15,17-21H2,1H3/t25-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against renin in fluorescent tGFP assay				Bioorg Med Chem Lett 15: 4713-6 (2005) Article DOI: 10.1016/j.bmcl.2005.07.063 BindingDB Entry DOI: 10.7270/Q2SF2VP9
					More data for this Ligand-Target Pair