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PubMed code 1348542

Compile data set for download or QSAR
Found 23 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
Neprilysin


(Homo sapiens (Human))
BDBM50002022
PNG
((2-Benzyl-3-hydroxycarbamoyl-propionylamino)-aceti...)
Show SMILES ONC(=O)CC(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C13H16N2O5/c16-11(15-20)7-10(13(19)14-8-12(17)18)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,14,19)(H,15,16)(H,17,18)
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n/an/a 1.40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50002018
PNG
(2-(2-Mercaptomethyl-3-phenyl-propionylamino)-4-met...)
Show SMILES CC(C)C[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)17-15(18)13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002031
PNG
(1-Mercaptomethyl-3-methylsulfanyl-propyl-ammonium)
Show SMILES CSCCC([NH3+])CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/p+1
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n/an/a 11n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50002035
PNG
((2-Hydroxycarbamoyl-3-phenyl-propionylamino)-aceti...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C12H14N2O5/c15-10(16)7-13-11(17)9(12(18)14-19)6-8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,13,17)(H,14,18)(H,15,16)
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n/an/a 15n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002026
PNG
(2-Mercapto-1-methylsulfanylmethyl-ethyl-ammonium)
Show SMILES CSCC([NH3+])CS
Show InChI InChI=1S/C4H11NS2/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3/p+1
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n/an/a 20n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50368599
PNG
(CHEMBL1159809)
Show SMILES CS(=O)CCC(N)CS
Show InChI InChI=1S/C5H13NOS2/c1-9(7)3-2-5(6)4-8/h5,8H,2-4,6H2,1H3
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n/an/a 20n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50368598
PNG
(CHEMBL1159810)
Show SMILES CS(=O)CC(N)CS
Show InChI InChI=1S/C4H11NOS2/c1-8(6)3-4(5)2-7/h4,7H,2-3,5H2,1H3
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n/an/a 21n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002027
PNG
(1-Mercaptomethyl-3-methyl-butyl-ammonium)
Show SMILES CC(C)CC([NH3+])CS
Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/p+1
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n/an/a 22n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002034
PNG
(2-Mercapto-1-phenyl-ethyl-ammonium)
Show SMILES [NH3+]C(CS)c1ccccc1
Show InChI InChI=1S/C8H11NS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1
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n/an/a 25n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50036828
PNG
(1-Mercaptomethyl-2-phenyl-ethyl-ammonium | 2-Amino...)
Show SMILES NC(CS)Cc1ccccc1
Show InChI InChI=1S/C9H13NS/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
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n/an/a 30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002019
PNG
(2-tert-Butylsulfanyl-1-mercaptomethyl-ethyl-ammoni...)
Show SMILES CC(C)(C)SCC([NH3+])CS
Show InChI InChI=1S/C7H17NS2/c1-7(2,3)10-5-6(8)4-9/h6,9H,4-5,8H2,1-3H3/p+1
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n/an/a 40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002030
PNG
(2-Cyclohexyl-1-mercaptomethyl-ethyl-ammonium)
Show SMILES [NH3+]C(CS)CC1CCCCC1
Show InChI InChI=1S/C9H19NS/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/p+1
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n/an/a 45n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002037
PNG
(2-(4-Hydroxy-phenyl)-1-mercaptomethyl-ethyl-ammoni...)
Show SMILES [NH3+]C(CS)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NOS/c10-8(6-12)5-7-1-3-9(11)4-2-7/h1-4,8,11-12H,5-6,10H2/p+1
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n/an/a 45n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50002038
PNG
(2-(2-Mercapto-3-phenyl-propionylamino)-4-methyl-pe...)
Show SMILES CC(C)C[C@@H](NC(=O)C(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?/m1/s1
PDB

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PubMed
n/an/a 50n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002028
PNG
(1-Benzyloxymethyl-2-mercapto-ethyl-ammonium)
Show SMILES [NH3+]C(CS)COCc1ccccc1
Show InChI InChI=1S/C10H15NOS/c11-10(8-13)7-12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8,11H2/p+1
PDB

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n/an/a 56n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002020
PNG
(2-Benzylsulfanyl-1-mercaptomethyl-ethyl-ammonium)
Show SMILES [NH3+]C(CS)CSCc1ccccc1
Show InChI InChI=1S/C10H15NS2/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/p+1
PDB

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n/an/a 90n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002017
PNG
(1-Mercaptomethyl-2-naphthalen-2-yl-ethyl-ammonium)
Show SMILES [NH3+]C(CS)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C13H15NS/c14-13(9-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,15H,8-9,14H2/p+1
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n/an/a 130n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002024
PNG
((1-Mercaptomethyl-3-methyl-butyl)-methyl-ammonium)
Show SMILES C[NH2+]C(CS)CC(C)C
Show InChI InChI=1S/C7H17NS/c1-6(2)4-7(5-9)8-3/h6-9H,4-5H2,1-3H3/p+1
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n/an/a 4.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50036826
PNG
(1-Benzyl-2-hydroxycarbamoyl-ethyl-ammonium | 3-Ami...)
Show SMILES NC(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C10H14N2O2/c11-9(7-10(13)12-14)6-8-4-2-1-3-5-8/h1-5,9,14H,6-7,11H2,(H,12,13)
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n/an/a 7.50E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002033
PNG
(1-Benzylsulfanylmethyl-2-phenyl-ethyl-ammonium)
Show SMILES [NH3+]C(CSCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C16H19NS/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h1-10,16H,11-13,17H2/p+1
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n/an/a 8.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002029
PNG
(Benzyl-(1-mercaptomethyl-2-phenyl-ethyl)-ammonium)
Show SMILES SCC(Cc1ccccc1)[NH2+]Cc1ccccc1
Show InChI InChI=1S/C16H19NS/c18-13-16(11-14-7-3-1-4-8-14)17-12-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/p+1
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n/an/a 1.60E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50036832
PNG
((2-Amino-3-phenyl-propyl)-phosphonic acid | 1-Benz...)
Show SMILES NC(Cc1ccccc1)CP(O)(O)=O
Show InChI InChI=1S/C9H14NO3P/c10-9(7-14(11,12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
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n/an/a 5.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


Citation and Details
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50036830
PNG
(1-Benzyl-2-carboxy-ethyl-ammonium | 3-Amino-4-phen...)
Show SMILES NC(CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
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n/an/a 8.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%