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2 similar compounds to monomer 50002038

Compile data set for download or QSAR
Wt: 253.3
BDBM50050140
Wt: 295.3
BDBM50282843
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50050140,50282843   
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


(Oryctolagus cuniculus (rabbit))
BDBM50050140
PNG
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H15NO3S/c1-8(12(15)16)13-11(14)10(17)7-9-5-3-2-4-6-9/h2-6,8,10,17H,7H2,1H3,(H,13,14)(H,15,16)/t8-,10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against neutral endopeptidase


J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50050140
PNG
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H15NO3S/c1-8(12(15)16)13-11(14)10(17)7-9-5-3-2-4-6-9/h2-6,8,10,17H,7H2,1H3,(H,13,14)(H,15,16)/t8-,10-/m0/s1
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme


J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50282843
PNG
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-4-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-10(2)8-12(15(18)19)16-14(17)13(20)9-11-6-4-3-5-7-11/h3-7,10,12-13,20H,8-9H2,1-2H3,(H,16,17)(H,18,19)/t12-,13-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282843
PNG
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-4-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-10(2)8-12(15(18)19)16-14(17)13(20)9-11-6-4-3-5-7-11/h3-7,10,12-13,20H,8-9H2,1-2H3,(H,16,17)(H,18,19)/t12-,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 87n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair