BindingDB logo
myBDB logout

BDBM18322 (2S,4S,5S,7S)-5-amino-N-(2-carbamoylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide::2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 30

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

InChI Key: InChIKey=ZMXQABNZQRBOJN-ZJZGAYNASA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 18322   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Renin


(Homo sapiens (Human))		BDBM18322
PNG
((2S,4S,5S,7S)-5-amino-N-(2-carbamoylethyl)-4-hydro...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(N)=O)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C28H49N3O6/c1-18(2)21(14-20-8-9-25(36-6)26(15-20)37-13-7-12-35-5)16-23(29)24(32)17-22(19(3)4)28(34)31-11-10-27(30)33/h8-9,15,18-19,21-24,32H,7,10-14,16-17,29H2,1-6H3,(H2,30,33)(H,31,34)/t21-,22-,23-,24-/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/an/a 1n/an/an/an/a7.237



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
3D Structure (docked)