BDBM18339 (2S,4S,5S,7S)-5-amino-N-[3-(dimethylcarbamoyl)propyl]-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide::2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 49

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

InChI Key: InChIKey=XBOCFPJGRTXVKU-FWEHEUNISA-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 = 18339   

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))	BDBM18339 ((2S,4S,5S,7S)-5-amino-N-[3-(dimethylcarbamoyl)prop...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCC(=O)N(C)C)C(C)C)ccc1OC |r| Show InChI InChI=1S/C31H55N3O6/c1-21(2)24(17-23-12-13-28(39-8)29(18-23)40-16-10-15-38-7)19-26(32)27(35)20-25(22(3)4)31(37)33-14-9-11-30(36)34(5)6/h12-13,18,21-22,24-27,35H,9-11,14-17,19-20,32H2,1-8H3,(H,33,37)/t24-,25-,26-,27-/m0/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	1	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: 4832-44 (2007) Article DOI: 10.1021/jm070316i BindingDB Entry DOI: 10.7270/Q2GQ6W1P
					More data for this Ligand-Target Pair				3D Structure (docked)