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PubMed code 8254612

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50021127
PNG
(2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O
Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1
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PubMed
n/an/a 2n/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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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n/an/a 6n/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
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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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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042837
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
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n/an/a 17n/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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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
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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))
BDBM50042837
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
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n/an/a 167n/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
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))
BDBM50042837
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
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n/an/a 1.30E+3n/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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042837
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
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n/an/a 4.60E+3n/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
* indicates data uncertainty>20%