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Compile Data Set for Download or QSAR

Found 45 hits of ki for UniProtKB: P07861   
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


(Rattus norvegicus (Rat))
BDBM50175518
PNG
((3R,7S)-7-((R)-2-Mercapto-3-phenyl-propionylamino)...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18-,19?,20+,21+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of neutral endopeptidase (NEP).


Bioorg Med Chem Lett 6: 957-962 (1996)


Article DOI: 10.1016/0960-894X(96)00149-7
BindingDB Entry DOI: 10.7270/Q2BV7GMV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50044866
PNG
(7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)C(Cc1ccccc21)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18?,19?,20-,21?/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50044866
PNG
(7-(2-Mercapto-3-phenyl-propionylamino)-6-oxo-1,2,3...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)C(Cc1ccccc21)NC(=O)C(S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18?,19?,20-,21?/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287694
PNG
(3-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalen...)
Show SMILES COC(=O)CCNC(=O)C1(CS)CCc2ccccc2C1
Show InChI InChI=1S/C16H21NO3S/c1-20-14(18)7-9-17-15(19)16(11-21)8-6-12-4-2-3-5-13(12)10-16/h2-5,21H,6-11H2,1H3,(H,17,19)
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287702
PNG
((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...)
Show SMILES C[C@H](NC(=O)C1(CS)CCc2ccccc2C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25NO3S/c1-16(20(24)26-14-17-7-3-2-4-8-17)23-21(25)22(15-27)12-11-18-9-5-6-10-19(18)13-22/h2-10,16,27H,11-15H2,1H3,(H,23,25)/t16-,22?/m0/s1
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50289194
PNG
((S)-2-[(S)-4-((R)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES CC(C)C[C@H](N1Cc2ccccc2C[C@H](NC(=O)[C@H](S)Cc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C25H30N2O4S/c1-16(2)12-21(25(30)31)27-15-19-11-7-6-10-18(19)14-20(24(27)29)26-23(28)22(32)13-17-8-4-3-5-9-17/h3-11,16,20-22,32H,12-15H2,1-2H3,(H,26,28)(H,30,31)/t20-,21-,22+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of neutral endopeptidase (NEP).


Bioorg Med Chem Lett 6: 957-962 (1996)


Article DOI: 10.1016/0960-894X(96)00149-7
BindingDB Entry DOI: 10.7270/Q2BV7GMV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287689
PNG
(CHEMBL304233 | [(2-Mercaptomethyl-1,2,3,4-tetrahyd...)
Show SMILES SCC1(CCc2ccccc2C1)C(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H23NO3S/c23-19(25-14-16-6-2-1-3-7-16)13-22-20(24)21(15-26)11-10-17-8-4-5-9-18(17)12-21/h1-9,26H,10-15H2,(H,22,24)
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287700
PNG
((S)-3-(4-Hydroxy-phenyl)-2-[(2-mercaptomethyl-1,2,...)
Show SMILES Oc1ccc(C[C@H](NC(=O)C2(CS)CCc3ccccc3C2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C28H29NO4S/c30-24-12-10-20(11-13-24)16-25(26(31)33-18-21-6-2-1-3-7-21)29-27(32)28(19-34)15-14-22-8-4-5-9-23(22)17-28/h1-13,25,30,34H,14-19H2,(H,29,32)/t25-,28?/m0/s1
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287699
PNG
(4-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalen...)
Show SMILES OC(=O)C1CCC(CC1)NC(=O)C1(CS)CCc2ccccc2C1 |(19.02,-7.43,;17.57,-6.91,;17.3,-5.39,;16.39,-7.89,;16.39,-9.43,;15.5,-8.45,;13.75,-8.17,;13.77,-6.63,;14.58,-7.58,;12.44,-8.97,;11.09,-8.22,;11.08,-6.68,;9.76,-8.99,;9.76,-10.53,;11.08,-11.32,;9.76,-7.44,;8.43,-6.67,;7.1,-7.45,;5.76,-6.68,;4.43,-7.45,;4.43,-8.99,;5.76,-9.76,;7.09,-8.99,;8.43,-9.76,)|
Show InChI InChI=1S/C19H25NO3S/c21-17(22)14-5-7-16(8-6-14)20-18(23)19(12-24)10-9-13-3-1-2-4-15(13)11-19/h1-4,14,16,24H,5-12H2,(H,20,23)(H,21,22)
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287690
PNG
(7-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalen...)
Show SMILES OC(=O)CCCCCCNC(=O)C1(CS)CCc2ccccc2C1
Show InChI InChI=1S/C19H27NO3S/c21-17(22)9-3-1-2-6-12-20-18(23)19(14-24)11-10-15-7-4-5-8-16(15)13-19/h4-5,7-8,24H,1-3,6,9-14H2,(H,20,23)(H,21,22)
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50024096
PNG
(((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@H](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)/t10-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibitory activity against enkephalinase purified from rat kidney with [3H]D-Ala2-Leu-enkephalin (20 nM) as substrate.


J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50405292
PNG
(CHEMBL2079630)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibitory activity against enkephalinase purified from rat kidney with [3H]D-Ala2-Leu-enkephalin (20 nM) as substrate.


J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](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)/t10-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50024096
PNG
(((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@H](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)/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287696
PNG
((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...)
Show SMILES CC(C)[C@H](NC(=O)C1(CS)CCc2ccccc2C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29NO3S/c1-17(2)21(22(26)28-15-18-8-4-3-5-9-18)25-23(27)24(16-29)13-12-19-10-6-7-11-20(19)14-24/h3-11,17,21,29H,12-16H2,1-2H3,(H,25,27)/t21-,24?/m0/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287695
PNG
((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CS)CCc2ccccc2C1
Show InChI InChI=1S/C22H25NO3S/c1-26-20(24)19(13-16-7-3-2-4-8-16)23-21(25)22(15-27)12-11-17-9-5-6-10-18(17)14-22/h2-10,19,27H,11-15H2,1H3,(H,23,25)/t19-,22?/m0/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287701
PNG
((4S,7S)-7-(2-Mercapto-acetylamino)-6-oxo-1,2,3,4,6...)
Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@H](Cc1ccccc21)NC(=O)CS
Show InChI InChI=1S/C17H20N2O4S/c20-15(9-24)18-12-8-10-4-1-2-5-11(10)13-6-3-7-14(17(22)23)19(13)16(12)21/h1-2,4-5,12-14,24H,3,6-9H2,(H,18,20)(H,22,23)/t12-,13?,14-/m0/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50044869
PNG
(7-(2-Mercapto-acetylamino)-6-oxo-1,2,3,4,6,7,8,12b...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@@H](Cc1ccccc21)NC(=O)CS
Show InChI InChI=1S/C17H20N2O4S/c20-15(9-24)18-12-8-10-4-1-2-5-11(10)13-6-3-7-14(17(22)23)19(13)16(12)21/h1-2,4-5,12-14,24H,3,6-9H2,(H,18,20)(H,22,23)/t12-,13?,14-/m1/s1
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5n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50084628
PNG
(2-(2-Benzo[1,3]dioxol-5-ylmethyl-3-carboxysulfanyl...)
Show SMILES C[C@H](NC(=O)[C@@H](CSC(O)=O)Cc1ccc2OCOc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H23NO7S/c1-14(21(25)28-11-15-5-3-2-4-6-15)23-20(24)17(12-31-22(26)27)9-16-7-8-18-19(10-16)30-13-29-18/h2-8,10,14,17H,9,11-13H2,1H3,(H,23,24)(H,26,27)/t14-,17+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral Endopeptidase


J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287693
PNG
((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C1(CS)CCc2ccccc2C1
Show InChI InChI=1S/C19H27NO3S/c1-13(2)10-16(17(21)23-3)20-18(22)19(12-24)9-8-14-6-4-5-7-15(14)11-19/h4-7,13,16,24H,8-12H2,1-3H3,(H,20,22)/t16-,19?/m0/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287692
PNG
(CHEMBL431957 | [(2-Mercaptomethyl-indane-2-carbony...)
Show SMILES SCC1(Cc2ccccc2C1)C(=O)NCC(=O)OCc1ccccc1
Show InChI InChI=1S/C20H21NO3S/c22-18(24-13-15-6-2-1-3-7-15)12-21-19(23)20(14-25)10-16-8-4-5-9-17(16)11-20/h1-9,25H,10-14H2,(H,21,23)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287691
PNG
(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalene-2-...)
Show SMILES SCC1(CCc2ccccc2C1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H21NO3S/c22-19(21-11-14-5-6-17-18(9-14)24-13-23-17)20(12-25)8-7-15-3-1-2-4-16(15)10-20/h1-6,9,25H,7-8,10-13H2,(H,21,22)
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50283607
PNG
(7-(2-Mercaptomethyl-3-phenyl-propionylamino)-hepta...)
Show SMILES OC(=O)CCCCCCNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C17H25NO3S/c19-16(20)10-6-1-2-7-11-18-17(21)15(13-22)12-14-8-4-3-5-9-14/h3-5,8-9,15,22H,1-2,6-7,10-13H2,(H,18,21)(H,19,20)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50047222
PNG
(2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...)
Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1
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31n/an/an/an/an/an/an/an/a



CCIPE-Faculté de Pharmacie

Curated by ChEMBL


Assay Description
Inhibitory activity against endopeptidase 24.15


J Med Chem 36: 1369-79 (1993)


BindingDB Entry DOI: 10.7270/Q2736PZX
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50047222
PNG
(2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...)
Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1
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40n/an/an/an/an/an/an/an/a



CCIPE-Faculté de Pharmacie

Curated by ChEMBL


Assay Description
Inhibitory activity against endopeptidase 24.11


J Med Chem 36: 1369-79 (1993)


BindingDB Entry DOI: 10.7270/Q2736PZX
More data for this
Ligand-Target Pair
Neprilysin


(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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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287698
PNG
((4S,7R)-7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-o...)
Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21
Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14-/m0/s1
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45n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50044867
PNG
(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21
Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m0/s1
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45n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50047222
PNG
(2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...)
Show SMILES CCC(C)C(NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m1/s1
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58n/an/an/an/an/an/an/an/a



CCIPE-Faculté de Pharmacie

Curated by ChEMBL


Assay Description
Inhibitory activity against endopeptidase 24.16


J Med Chem 36: 1369-79 (1993)


BindingDB Entry DOI: 10.7270/Q2736PZX
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50021031
PNG
(CHEMBL19352 | N-[[[(Tyrosylglycyl)amino]methyl]hyd...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H38N5O7P/c1-17(2)12-22(26(35)36)30-23(14-18-6-4-3-5-7-18)31-39(37,38)16-29-24(33)15-28-25(34)21(27)13-19-8-10-20(32)11-9-19/h3-11,17,21-23,30,32H,12-16,27H2,1-2H3,(H,28,34)(H,29,33)(H,35,36)(H2,31,37,38)/p-1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of human


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50021032
PNG
(CHEMBL281394 | N-[[(Acetylamino)methyl]hydroxyphos...)
Show SMILES CSCCC(NC(Cc1ccccc1)NP([O-])(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C16H26N3O5PS/c1-12(20)17-11-25(23,24)19-15(10-13-6-4-3-5-7-13)18-14(16(21)22)8-9-26-2/h3-7,14-15,18H,8-11H2,1-2H3,(H,17,20)(H,21,22)(H2,19,23,24)/p-1
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50021033
PNG
(CHEMBL429227 | N-[[[(Tyrosyl-D-alanyl)amino]methyl...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)[C@H](C)NC(=O)C(N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H40N5O7P/c1-17(2)13-23(27(36)37)31-24(15-19-7-5-4-6-8-19)32-40(38,39)16-29-25(34)18(3)30-26(35)22(28)14-20-9-11-21(33)12-10-20/h4-12,17-18,22-24,31,33H,13-16,28H2,1-3H3,(H,29,34)(H,30,35)(H,36,37)(H2,32,38,39)/p-1/t18-,22?,23?,24?/m0/s1
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of human


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50287697
PNG
((4S,7S)-7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-o...)
Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@@H](CS)Cc1ccccc21
Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m1/s1
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>300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50044867
PNG
(7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21
Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m0/s1
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>300n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50281462
PNG
((R)-2-[(6S,7S)-6-((R)-2-Mercapto-3-phenyl-propiony...)
Show SMILES CC(C)C[C@@H](N1CCO[C@H]([C@H](NC(=O)[C@H](S)Cc2ccccc2)C1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H32N2O5S/c1-17(2)15-20(26(31)32)28-13-14-33-23(19-11-7-4-8-12-19)22(25(28)30)27-24(29)21(34)16-18-9-5-3-6-10-18/h3-12,17,20-23,34H,13-16H2,1-2H3,(H,27,29)(H,31,32)/t20-,21-,22+,23+/m1/s1
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330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of neutral endopeptidase (NEP).


Bioorg Med Chem Lett 6: 957-962 (1996)


Article DOI: 10.1016/0960-894X(96)00149-7
BindingDB Entry DOI: 10.7270/Q2BV7GMV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50021030
PNG
(CHEMBL277431 | N-(Hydroxymethylphosphinothioyl)phe...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NP(C)([O-])=S)C([O-])=O
Show InChI InChI=1S/C16H25N2O4PS/c1-11(2)9-14(16(20)21)17-15(19)13(18-23(3,22)24)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3,(H,17,19)(H,20,21)(H2,18,22,24)/p-2
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420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of human


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50021026
PNG
(CHEMBL417094 | N-[[(Acetylamino)methyl]hydroxyphos...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(C)=O)C(O)=O
Show InChI InChI=1S/C17H28N3O5P/c1-12(2)9-15(17(22)23)19-16(10-14-7-5-4-6-8-14)20-26(24,25)11-18-13(3)21/h4-8,12,15-16,19H,9-11H2,1-3H3,(H,18,21)(H,22,23)(H2,20,24,25)/p-1
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850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50047223
PNG
(2-[2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-...)
Show SMILES CCC(C)C(NC(=O)[C@H](CC(=O)NO)Cc1ccccc1)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C22H33N3O6/c1-5-14(4)19(21(28)23-18(13(2)3)22(29)30)24-20(27)16(12-17(26)25-31)11-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,31H,5,11-12H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14?,16-,18?,19?/m0/s1
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1.32E+3n/an/an/an/an/an/an/an/a



CCIPE-Faculté de Pharmacie

Curated by ChEMBL


Assay Description
Inhibitory activity against endopeptidase 24.16


J Med Chem 36: 1369-79 (1993)


BindingDB Entry DOI: 10.7270/Q2736PZX
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50044868
PNG
(7-(1-Carboxy-3-phenyl-propylamino)-6-oxo-1,2,3,4,6...)
Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H]1Cc2ccccc2C2CCC[C@@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C25H28N2O5/c28-23-20(26-19(24(29)30)14-13-16-7-2-1-3-8-16)15-17-9-4-5-10-18(17)21-11-6-12-22(25(31)32)27(21)23/h1-5,7-10,19-22,26H,6,11-15H2,(H,29,30)(H,31,32)/t19-,20+,21?,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50021029
PNG
(CHEMBL19443 | N-[[(Benzoylamino)methyl]hydroxyphos...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H30N3O5P/c1-16(2)13-19(22(27)28)24-20(14-17-9-5-3-6-10-17)25-31(29,30)15-23-21(26)18-11-7-4-8-12-18/h3-12,16,19-20,24H,13-15H2,1-2H3,(H,23,26)(H,27,28)(H2,25,29,30)/p-1
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1.06E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50021034
PNG
(CHEMBL20089 | N-[[(Phenylacetyl)amino]methyl]hydro...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H32N3O5P/c1-17(2)13-20(23(28)29)25-21(14-18-9-5-3-6-10-18)26-32(30,31)16-24-22(27)15-19-11-7-4-8-12-19/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,24,27)(H,28,29)(H2,26,30,31)/p-1
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8.02E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50367255
PNG
(CHEMBL1744144)
Show SMILES CCOP(=O)(CNC(C)=O)NC(Cc1ccccc1)NC(CCSC)C([O-])=O
Show InChI InChI=1S/C18H30N3O5PS/c1-4-26-27(25,13-19-14(2)22)21-17(12-15-8-6-5-7-9-15)20-16(18(23)24)10-11-28-3/h5-9,16-17,20H,4,10-13H2,1-3H3,(H,19,22)(H,21,25)(H,23,24)/p-1
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1.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50021027
PNG
(CHEMBL277394 | N-[[[(3-Phenylpropionoyl)amino]meth...)
Show SMILES CC(C)CC(NC(Cc1ccccc1)NP([O-])(=O)CNC(=O)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C24H34N3O5P/c1-18(2)15-21(24(29)30)26-22(16-20-11-7-4-8-12-20)27-33(31,32)17-25-23(28)14-13-19-9-5-3-6-10-19/h3-12,18,21-22,26H,13-17H2,1-2H3,(H,25,28)(H,29,30)(H2,27,31,32)/p-1
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1.21E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair