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2 similar compounds to monomer 50042837

Compile data set for download or QSAR
Wt: 279.4
BDBM50039528
Wt: 305.4
BDBM50042838

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50039528,50042838   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039528
PNG
((S)-3-Ethylsulfanyl-2-(2-mercaptomethyl-pentanoyla...)
Show SMILES CCCC(CS)C(=O)N[C@H](CSCC)C(O)=O
Show InChI InChI=1S/C11H21NO3S2/c1-3-5-8(6-16)10(13)12-9(11(14)15)7-17-4-2/h8-9,16H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8?,9-/m1/s1
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against angiotensin converting enzyme


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039528
PNG
((S)-3-Ethylsulfanyl-2-(2-mercaptomethyl-pentanoyla...)
Show SMILES CCCC(CS)C(=O)N[C@H](CSCC)C(O)=O
Show InChI InChI=1S/C11H21NO3S2/c1-3-5-8(6-16)10(13)12-9(11(14)15)7-17-4-2/h8-9,16H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8?,9-/m1/s1
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PubMed
n/an/a>300n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042838
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1
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PubMed
n/an/a 72n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of angiotensin converting enzyme from rabbit lung


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50042838
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50042838
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1
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PubMed
n/an/a 18n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition against angiotensin converting enzyme (ACE) from rabbit lung


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042838
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1
MMDB

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GoogleScholar
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of angiotensin converting enzyme from rabbit lung


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair