BDBM50427570 CHEMBL2322606

SMILES: COCCCOc1cc(CN(CC2CNCC2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC

InChI Key: InChIKey=WKIAMHCWMIABDD-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 = 50427570   

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))	BDBM50427570 (CHEMBL2322606) Show SMILES COCCCOc1cc(CN(CC2CNCC2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC Show InChI InChI=1S/C30H37ClN2O3/c1-34-15-6-16-36-30-18-24(9-14-29(30)35-2)21-33(28-12-10-27(31)11-13-28)22-26-20-32-19-25(26)17-23-7-4-3-5-8-23/h3-5,7-14,18,25-26,32H,6,15-17,19-22H2,1-2H3	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	9.80E+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