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BDBM50084895 2-[(S)-3-Dibenzofuran-3-yl-2-(phosphonomethyl-amino)-propionylamino]-3-phenyl-propionic acid::2-[3-Dibenzofuran-3-yl-2-(phosphonomethyl-amino)-propionylamino]-3-phenyl-propionic acid::CHEMBL413724

SMILES: OC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O

InChI Key: InChIKey=HGHPDYKGLTVDPS-BGERDNNASA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50084895   
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50084895
PNG
(2-[(S)-3-Dibenzofuran-3-yl-2-(phosphonomethyl-amin...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O |r|
Show InChI InChI=1S/C25H25N2O7P/c28-24(27-21(25(29)30)12-16-6-2-1-3-7-16)20(26-15-35(31,32)33)13-17-10-11-19-18-8-4-5-9-22(18)34-23(19)14-17/h1-11,14,20-21,26H,12-13,15H2,(H,27,28)(H,29,30)(H2,31,32,33)/t20-,21?/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase


J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50084895
PNG
(2-[(S)-3-Dibenzofuran-3-yl-2-(phosphonomethyl-amin...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc21)NCP(O)(O)=O |r|
Show InChI InChI=1S/C25H25N2O7P/c28-24(27-21(25(29)30)12-16-6-2-1-3-7-16)20(26-15-35(31,32)33)13-17-10-11-19-18-8-4-5-9-22(18)34-23(19)14-17/h1-11,14,20-21,26H,12-13,15H2,(H,27,28)(H,29,30)(H2,31,32,33)/t20-,21?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 23n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In Vitro inhibition of recombinant human endothelin converting enzyme-1


J Med Chem 43: 488-504 (2000)


BindingDB Entry DOI: 10.7270/Q21G0MZR
More data for this
Ligand-Target Pair