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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 582.5
BDBM50287151
Wt: 582.5
BDBM50366431

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

Found 6 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))
BDBM50287151
PNG
((R)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2...)
Show SMILES CC(O)[C@@H](NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H35N2O8P/c1-21(33)27(29(35)36)32-28(34)25(17-22-11-5-2-6-12-22)20-41(38,39)26(18-23-13-7-3-8-14-23)31-30(37)40-19-24-15-9-4-10-16-24/h2-16,21,25-27,33H,17-20H2,1H3,(H,31,37)(H,32,34)(H,35,36)(H,38,39)/t21?,25?,26-,27-/m1/s1
PDB

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Article
n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells


Bioorg Med Chem Lett 6: 1323-1326 (1996)


Article DOI: 10.1016/0960-894X(96)00227-2
BindingDB Entry DOI: 10.7270/Q2Q81DKV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50287151
PNG
((R)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2...)
Show SMILES CC(O)[C@@H](NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H35N2O8P/c1-21(33)27(29(35)36)32-28(34)25(17-22-11-5-2-6-12-22)20-41(38,39)26(18-23-13-7-3-8-14-23)31-30(37)40-19-24-15-9-4-10-16-24/h2-16,21,25-27,33H,17-20H2,1H3,(H,31,37)(H,32,34)(H,35,36)(H,38,39)/t21?,25?,26-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC sid
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Article
n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem Lett 6: 1323-1326 (1996)


Article DOI: 10.1016/0960-894X(96)00227-2
BindingDB Entry DOI: 10.7270/Q2Q81DKV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50366431
PNG
(CHEMBL1794047)
Show SMILES C[C@H](O)[C@@H](NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H35N2O8P/c1-21(33)27(29(35)36)32-28(34)25(17-22-11-5-2-6-12-22)20-41(38,39)26(18-23-13-7-3-8-14-23)31-30(37)40-19-24-15-9-4-10-16-24/h2-16,21,25-27,33H,17-20H2,1H3,(H,31,37)(H,32,34)(H,35,36)(H,38,39)/t21-,25?,26+,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
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Article
n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem Lett 6: 1323-1326 (1996)


Article DOI: 10.1016/0960-894X(96)00227-2
BindingDB Entry DOI: 10.7270/Q2Q81DKV
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50366431
PNG
(CHEMBL1794047)
Show SMILES C[C@H](O)[C@@H](NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H35N2O8P/c1-21(33)27(29(35)36)32-28(34)25(17-22-11-5-2-6-12-22)20-41(38,39)26(18-23-13-7-3-8-14-23)31-30(37)40-19-24-15-9-4-10-16-24/h2-16,21,25-27,33H,17-20H2,1H3,(H,31,37)(H,32,34)(H,35,36)(H,38,39)/t21-,25?,26+,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells


Bioorg Med Chem Lett 6: 1323-1326 (1996)


Article DOI: 10.1016/0960-894X(96)00227-2
BindingDB Entry DOI: 10.7270/Q2Q81DKV
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50366431
PNG
(CHEMBL1794047)
Show SMILES C[C@H](O)[C@@H](NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H35N2O8P/c1-21(33)27(29(35)36)32-28(34)25(17-22-11-5-2-6-12-22)20-41(38,39)26(18-23-13-7-3-8-14-23)31-30(37)40-19-24-15-9-4-10-16-24/h2-16,21,25-27,33H,17-20H2,1H3,(H,31,37)(H,32,34)(H,35,36)(H,38,39)/t21-,25?,26+,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem Lett 6: 1323-1326 (1996)


Article DOI: 10.1016/0960-894X(96)00227-2
BindingDB Entry DOI: 10.7270/Q2Q81DKV
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))
BDBM50366431
PNG
(CHEMBL1794047)
Show SMILES C[C@H](O)[C@@H](NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C30H35N2O8P/c1-21(33)27(29(35)36)32-28(34)25(17-22-11-5-2-6-12-22)20-41(38,39)26(18-23-13-7-3-8-14-23)31-30(37)40-19-24-15-9-4-10-16-24/h2-16,21,25-27,33H,17-20H2,1H3,(H,31,37)(H,32,34)(H,35,36)(H,38,39)/t21-,25?,26+,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells


Bioorg Med Chem Lett 6: 1323-1326 (1996)


Article DOI: 10.1016/0960-894X(96)00227-2
BindingDB Entry DOI: 10.7270/Q2Q81DKV
More data for this
Ligand-Target Pair