BDBM18274 (2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(methanesulfonylmethoxy)phenyl]methyl}-4-hydroxy-2,8-dimethylnonanamide::8-phenyl-octanecarboxamide peptidomimetic, 31

SMILES: CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCS(C)(=O)=O)c1)C(C)(C)C)C(C)C

InChI Key: InChIKey=YMPLTFCIOBBXOA-VQPAQMSKSA-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 = 18274   

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))	BDBM18274 ((2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCS(C)(=O)=O)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C28H50N2O5S/c1-9-10-13-30-27(32)20(4)14-25(31)24(29)17-22(19(2)3)15-21-11-12-23(28(5,6)7)26(16-21)35-18-36(8,33)34/h11-12,16,19-20,22,24-25,31H,9-10,13-15,17-18,29H2,1-8H3,(H,30,32)/t20-,22+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.2	37
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