BDBM18269 8-phenyl-octanecarboxamide peptidomimetic, 27::methyl 2-{5-[(2S,4S,5S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-7-methyl-2-(propan-2-yl)heptyl]-2-tert-butylphenoxy}acetate

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

InChI Key: InChIKey=PAHLRMVTECRACY-VQPAQMSKSA-N

Data: 2 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 2 hits for monomerid = 18269   

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))	BDBM18269 (8-phenyl-octanecarboxamide peptidomimetic, 27 | me...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(=O)OC)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C29H50N2O5/c1-9-10-13-31-28(34)20(4)14-25(32)24(30)17-22(19(2)3)15-21-11-12-23(29(5,6)7)26(16-21)36-18-27(33)35-8/h11-12,16,19-20,22,24-25,32H,9-10,13-15,17-18,30H2,1-8H3,(H,31,34)/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	n/a	n/a	6	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity for human renin at pH 7.2				Bioorg Med Chem Lett 7: 2735-2740 (1997) Article DOI: 10.1016/S0960-894X(97)10067-1 BindingDB Entry DOI: 10.7270/Q2PN95NC
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18269 (8-phenyl-octanecarboxamide peptidomimetic, 27 | me...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(=O)OC)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C29H50N2O5/c1-9-10-13-31-28(34)20(4)14-25(32)24(30)17-22(19(2)3)15-21-11-12-23(29(5,6)7)26(16-21)36-18-27(33)35-8/h11-12,16,19-20,22,24-25,32H,9-10,13-15,17-18,30H2,1-8H3,(H,31,34)/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	6	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