BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.4
BDBM50064099

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))
BDBM50064099
PNG
(CHEMBL39714 | {[(S)-1-(2-Biphenyl-4-yl-ethylcarbam...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26FN2O4P/c27-24-11-5-4-9-23(24)10-6-12-25(29-19-34(31,32)33)26(30)28-18-17-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-5,7-9,11,13-16,25,29H,12,17-19H2,(H,28,30)(H2,31,32,33)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).


J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50064099
PNG
(CHEMBL39714 | {[(S)-1-(2-Biphenyl-4-yl-ethylcarbam...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26FN2O4P/c27-24-11-5-4-9-23(24)10-6-12-25(29-19-34(31,32)33)26(30)28-18-17-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-5,7-9,11,13-16,25,29H,12,17-19H2,(H,28,30)(H2,31,32,33)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).


J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair