BDBM18311 (2R,4S,5S,7S)-5-amino-N-(4-carbamoylbutyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,8-dimethylnonanamide::8-phenyl-octanecarboxamide peptidomimetic, 68

SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCC(N)=O)C(C)C)ccc1OC

InChI Key: InChIKey=IZYXMVKELAEHKP-KAMZKSLDSA-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 = 18311   

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))	BDBM18311 ((2R,4S,5S,7S)-5-amino-N-(4-carbamoylbutyl)-4-hydro...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCC(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C28H49N3O6/c1-19(2)22(16-21-10-11-25(36-5)26(17-21)37-14-8-13-35-4)18-23(29)24(32)15-20(3)28(34)31-12-7-6-9-27(30)33/h10-11,17,19-20,22-24,32H,6-9,12-16,18,29H2,1-5H3,(H2,30,33)(H,31,34)/t20-,22+,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I g...				J Med Chem 50: 4818-31 (2007) Article DOI: 10.1021/jm070314y BindingDB Entry DOI: 10.7270/Q2MG7MSF
					More data for this Ligand-Target Pair				3D Structure (docked)