BDBM50352979 CHEMBL1824954

SMILES: CCCCC1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12

InChI Key: InChIKey=ZHPFDIWSDZGDIB-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 = 50352979   

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))	BDBM50352979 (CHEMBL1824954) Show SMILES CCCCC1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12 Show InChI InChI=1S/C30H34N4O2/c1-4-5-13-23-20-33(19-18-31-23)29(35)26-27-25(16-10-17-32-27)34(24-14-7-6-8-15-24)30(26)36-28-21(2)11-9-12-22(28)3/h6-12,14-17,23,31H,4-5,13,18-20H2,1-3H3	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	285	n/a	n/a	n/a	n/a	n/a	n/a
Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...				Bioorg Med Chem Lett 21: 5480-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.114 BindingDB Entry DOI: 10.7270/Q2HH6KFK
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