BDBM50427568 CHEMBL2322608

SMILES: COCCCOc1cc(ccc1OC)C(=O)N(CC1CNCC1Cc1ccccc1)c1ccc(Cl)cc1

InChI Key: InChIKey=YVMRZYPIAAUZMZ-UHFFFAOYSA-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 = 50427568   

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))	BDBM50427568 (CHEMBL2322608) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(CC1CNCC1Cc1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H35ClN2O4/c1-35-15-6-16-37-29-18-23(9-14-28(29)36-2)30(34)33(27-12-10-26(31)11-13-27)21-25-20-32-19-24(25)17-22-7-4-3-5-8-22/h3-5,7-14,18,24-25,32H,6,15-17,19-21H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate a...				J Med Chem 56: 2207-17 (2013) Article DOI: 10.1021/jm3017078 BindingDB Entry DOI: 10.7270/Q2FB5487
					More data for this Ligand-Target Pair