BDBM50066272 CHEMBL3401540

SMILES: COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CCc1ccccc1)C(C)C

InChI Key: InChIKey=JTDFVYYKULTGQG-LOSJGSFVSA-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 = 50066272   

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))	BDBM50066272 (CHEMBL3401540) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H41N3O6S/c1-21(2)31(28(32)23-11-12-26(36-4)27(17-23)37-15-8-14-35-3)20-24-18-29-19-25(24)30-38(33,34)16-13-22-9-6-5-7-10-22/h5-7,9-12,17,21,24-25,29-30H,8,13-16,18-20H2,1-4H3/t24-,25+/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of recombinant human renin by fluorescence based FRET assay				Bioorg Med Chem Lett 25: 1782-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.039 BindingDB Entry DOI: 10.7270/Q2Z039TX
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