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BDBM50064122 (S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-amino)-pent-4-ynoylamino]-4-methylsulfanyl-butyric acid::CHEMBL36753

SMILES: CSCC[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O

InChI Key: InChIKey=LITPKWHXBVRJFG-GJZGRUSLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50064122   
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
Neprilysin


(Homo sapiens (Human))
BDBM50064122
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C17H22FN2O6PS/c1-28-10-9-15(17(22)23)20-16(21)14(19-11-27(24,25)26)8-4-6-12-5-2-3-7-13(12)18/h2-3,5,7,14-15,19H,8-11H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.06E+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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50064122
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C17H22FN2O6PS/c1-28-10-9-15(17(22)23)20-16(21)14(19-11-27(24,25)26)8-4-6-12-5-2-3-7-13(12)18/h2-3,5,7,14-15,19H,8-11H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/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