BDBM18271 (2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(carbamoylmethoxy)phenyl]methyl}-4-hydroxy-2,8-dimethylnonanamide::8-phenyl-octanecarboxamide peptidomimetic, 1

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

InChI Key: InChIKey=PJHHGAVXRVNVSH-NMTNEYKDSA-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 = 18271   

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))	BDBM18271 ((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(OCC(N)=O)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C28H49N3O4/c1-8-9-12-31-27(34)19(4)13-24(32)23(29)16-21(18(2)3)14-20-10-11-22(28(5,6)7)25(15-20)35-17-26(30)33/h10-11,15,18-19,21,23-24,32H,8-9,12-14,16-17,29H2,1-7H3,(H2,30,33)(H,31,34)/t19-,21+,23+,24+/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	20	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))	BDBM18271 ((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(OCC(N)=O)c1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C28H49N3O4/c1-8-9-12-31-27(34)19(4)13-24(32)23(29)16-21(18(2)3)14-20-10-11-22(28(5,6)7)25(15-20)35-17-26(30)33/h10-11,15,18-19,21,23-24,32H,8-9,12-14,16-17,29H2,1-7H3,(H2,30,33)(H,31,34)/t19-,21+,23+,24+/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	20	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