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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.3
BDBM50064097

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))
BDBM50064097
PNG
(CHEMBL37456 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(2-p...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C19H20F2N3O4P/c20-15-8-7-14(17(21)12-15)4-3-6-18(24-13-29(26,27)28)19(25)23-11-9-16-5-1-2-10-22-16/h1-2,5,7-8,10,12,18,24H,6,9,11,13H2,(H,23,25)(H2,26,27,28)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/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))
BDBM50064097
PNG
(CHEMBL37456 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(2-p...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C19H20F2N3O4P/c20-15-8-7-14(17(21)12-15)4-3-6-18(24-13-29(26,27)28)19(25)23-11-9-16-5-1-2-10-22-16/h1-2,5,7-8,10,12,18,24H,6,9,11,13H2,(H,23,25)(H2,26,27,28)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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