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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.5
BDBM50084912

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50084912
PNG
(3-Dibenzofuran-3-yl-2-[1-phosphono-3-(2,4,5-trimet...)
Show SMILES COc1cc(OC)c(OC)cc1CCC(N[C@@H](Cc1ccc2c(c1)oc1ccccc21)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C27H30NO9P/c1-34-22-15-25(36-3)24(35-2)14-17(22)9-11-26(38(31,32)33)28-20(27(29)30)12-16-8-10-19-18-6-4-5-7-21(18)37-23(19)13-16/h4-8,10,13-15,20,26,28H,9,11-12H2,1-3H3,(H,29,30)(H2,31,32,33)/t20-,26?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 40n/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
Neprilysin


(Rattus norvegicus (Rat))
BDBM50084912
PNG
(3-Dibenzofuran-3-yl-2-[1-phosphono-3-(2,4,5-trimet...)
Show SMILES COc1cc(OC)c(OC)cc1CCC(N[C@@H](Cc1ccc2c(c1)oc1ccccc21)C(O)=O)P(O)(O)=O
Show InChI InChI=1S/C27H30NO9P/c1-34-22-15-25(36-3)24(35-2)14-17(22)9-11-26(38(31,32)33)28-20(27(29)30)12-16-8-10-19-18-6-4-5-7-21(18)37-23(19)13-16/h4-8,10,13-15,20,26,28H,9,11-12H2,1-3H3,(H,29,30)(H2,31,32,33)/t20-,26?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/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