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Articleid 50034832

Compile data set for download or QSAR
Found 21 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


(Rattus norvegicus (Rat))
BDBM50286907
PNG
((S)-5-Biphenyl-4-yl-4-(carboxymethyl-carbamoyl)-pe...)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C20H21NO5/c22-18(23)11-10-17(20(26)21-13-19(24)25)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,21,26)(H,22,23)(H,24,25)/t17-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286905
PNG
((S)-5-Biphenyl-4-yl-4-(1-carboxy-ethylcarbamoyl)-2...)
Show SMILES CC(NC(=O)[C@@H](CC(COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H29NO6/c1-19(27(31)32)29-26(30)23(17-24(28(33)34)18-35-25-10-6-3-7-11-25)16-20-12-14-22(15-13-20)21-8-4-2-5-9-21/h2-15,19,23-24H,16-18H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t19?,23-,24?/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286905
PNG
((S)-5-Biphenyl-4-yl-4-(1-carboxy-ethylcarbamoyl)-2...)
Show SMILES CC(NC(=O)[C@@H](CC(COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H29NO6/c1-19(27(31)32)29-26(30)23(17-24(28(33)34)18-35-25-10-6-3-7-11-25)16-20-12-14-22(15-13-20)21-8-4-2-5-9-21/h2-15,19,23-24H,16-18H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t19?,23-,24?/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286906
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(carboxymethyl-carbamoyl...)
Show SMILES OC(=O)CNC(=O)[C@@H](C[C@@H](COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c29-25(30)17-28-26(31)22(16-23(27(32)33)18-34-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22-23H,15-18H2,(H,28,31)(H,29,30)(H,32,33)/t22-,23+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286906
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(carboxymethyl-carbamoyl...)
Show SMILES OC(=O)CNC(=O)[C@@H](C[C@@H](COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c29-25(30)17-28-26(31)22(16-23(27(32)33)18-34-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22-23H,15-18H2,(H,28,31)(H,29,30)(H,32,33)/t22-,23+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286908
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(carboxymethyl-carbamoyl...)
Show SMILES OC(=O)CNC(=O)[C@@H](C[C@H](COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c29-25(30)17-28-26(31)22(16-23(27(32)33)18-34-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22-23H,15-18H2,(H,28,31)(H,29,30)(H,32,33)/t22-,23-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286906
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(carboxymethyl-carbamoyl...)
Show SMILES OC(=O)CNC(=O)[C@@H](C[C@@H](COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c29-25(30)17-28-26(31)22(16-23(27(32)33)18-34-24-9-5-2-6-10-24)15-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22-23H,15-18H2,(H,28,31)(H,29,30)(H,32,33)/t22-,23+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
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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Article
n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286909
PNG
((S)-5-Biphenyl-4-yl-4-((R)-1-carboxy-ethylcarbamoy...)
Show SMILES C[C@@H](NC(=O)[C@@H](CC(COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H29NO6/c1-19(27(31)32)29-26(30)23(17-24(28(33)34)18-35-25-10-6-3-7-11-25)16-20-12-14-22(15-13-20)21-8-4-2-5-9-21/h2-15,19,23-24H,16-18H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t19-,23-,24?/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286909
PNG
((S)-5-Biphenyl-4-yl-4-((R)-1-carboxy-ethylcarbamoy...)
Show SMILES C[C@@H](NC(=O)[C@@H](CC(COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C28H29NO6/c1-19(27(31)32)29-26(30)23(17-24(28(33)34)18-35-25-10-6-3-7-11-25)16-20-12-14-22(15-13-20)21-8-4-2-5-9-21/h2-15,19,23-24H,16-18H2,1H3,(H,29,30)(H,31,32)(H,33,34)/t19-,23-,24?/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286910
PNG
((S)-5-Biphenyl-4-yl-4-(1-carboxy-3-methylsulfanyl-...)
Show SMILES CSCCC(NC(=O)[C@@H](CC(COc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H33NO6S/c1-38-17-16-27(30(35)36)31-28(32)24(19-25(29(33)34)20-37-26-10-6-3-7-11-26)18-21-12-14-23(15-13-21)22-8-4-2-5-9-22/h2-15,24-25,27H,16-20H2,1H3,(H,31,32)(H,33,34)(H,35,36)/t24-,25?,27?/m1/s1
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n/an/a 101n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286917
PNG
((R)-2-[(R)-2-(Carboxymethyl-carbamoyl)-3-(4-pyrazo...)
Show SMILES CCCC[C@H](C[C@H](Cc1ccc(cc1)-n1cccn1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H27N3O5/c1-2-3-5-16(21(28)29)13-17(20(27)22-14-19(25)26)12-15-6-8-18(9-7-15)24-11-4-10-23-24/h4,6-11,16-17H,2-3,5,12-14H2,1H3,(H,22,27)(H,25,26)(H,28,29)/t16-,17+/m1/s1
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n/an/a 366n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286915
PNG
(4-(Carboxymethyl-carbamoyl)-2-phenoxymethyl-5-phen...)
Show SMILES OC(=O)CNC(=O)C(CC(COc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C21H23NO6/c23-19(24)13-22-20(25)16(11-15-7-3-1-4-8-15)12-17(21(26)27)14-28-18-9-5-2-6-10-18/h1-10,16-17H,11-14H2,(H,22,25)(H,23,24)(H,26,27)
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n/an/a 407n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286916
PNG
(4-(Carboxymethyl-carbamoyl)-2-(2-methoxy-ethoxymet...)
Show SMILES COCCOCC(CC(Cc1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25NO7/c1-25-7-8-26-12-15(18(23)24)10-14(17(22)19-11-16(20)21)9-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 945n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286912
PNG
(1-((S)-2-Biphenyl-4-ylmethyl-4-carboxy-5-phenoxy-p...)
Show SMILES OC(=O)C(COc1ccccc1)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C30H31NO6/c32-28(31-17-7-12-27(31)30(35)36)24(19-25(29(33)34)20-37-26-10-5-2-6-11-26)18-21-13-15-23(16-14-21)22-8-3-1-4-9-22/h1-6,8-11,13-16,24-25,27H,7,12,17-20H2,(H,33,34)(H,35,36)/t24-,25?,27?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286912
PNG
(1-((S)-2-Biphenyl-4-ylmethyl-4-carboxy-5-phenoxy-p...)
Show SMILES OC(=O)C(COc1ccccc1)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C30H31NO6/c32-28(31-17-7-12-27(31)30(35)36)24(19-25(29(33)34)20-37-26-10-5-2-6-11-26)18-21-13-15-23(16-14-21)22-8-3-1-4-9-22/h1-6,8-11,13-16,24-25,27H,7,12,17-20H2,(H,33,34)(H,35,36)/t24-,25?,27?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286915
PNG
(4-(Carboxymethyl-carbamoyl)-2-phenoxymethyl-5-phen...)
Show SMILES OC(=O)CNC(=O)C(CC(COc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C21H23NO6/c23-19(24)13-22-20(25)16(11-15-7-3-1-4-8-15)12-17(21(26)27)14-28-18-9-5-2-6-10-18/h1-10,16-17H,11-14H2,(H,22,25)(H,23,24)(H,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286913
PNG
((Z)-2-[(R)-2-(Carboxymethyl-carbamoyl)-3-(4-pyrazo...)
Show SMILES CCC\C=C(\C[C@@H](Cc1ccc(cc1)-n1cccn1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H25N3O5/c1-2-3-5-16(21(28)29)13-17(20(27)22-14-19(25)26)12-15-6-8-18(9-7-15)24-11-4-10-23-24/h4-11,17H,2-3,12-14H2,1H3,(H,22,27)(H,25,26)(H,28,29)/b16-5-/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286914
PNG
((2R,4R)-4-(Biphenyl-4-yloxy)-4-(carboxymethyl-carb...)
Show SMILES OC(=O)CNC(=O)[C@@H](C[C@H](COc1ccccc1)C(O)=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-24(29)16-27-25(30)23(15-20(26(31)32)17-33-21-9-5-2-6-10-21)34-22-13-11-19(12-14-22)18-7-3-1-4-8-18/h1-14,20,23H,15-17H2,(H,27,30)(H,28,29)(H,31,32)/t20-,23-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286916
PNG
(4-(Carboxymethyl-carbamoyl)-2-(2-methoxy-ethoxymet...)
Show SMILES COCCOCC(CC(Cc1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C18H25NO7/c1-25-7-8-26-12-15(18(23)24)10-14(17(22)19-11-16(20)21)9-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,19,22)(H,20,21)(H,23,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50286911
PNG
(4-(Carboxymethyl-carbamoyl)-2-methyl-5-(5-phenyl-p...)
Show SMILES CC(CC(Cc1ncc(cn1)-c1ccccc1)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C19H21N3O5/c1-12(19(26)27)7-14(18(25)22-11-17(23)24)8-16-20-9-15(10-21-16)13-5-3-2-4-6-13/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,22,25)(H,23,24)(H,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase from rat kidney.


Bioorg Med Chem Lett 6: 65-70 (1996)


Article DOI: 10.1016/0960-894X(95)00551-4
BindingDB Entry DOI: 10.7270/Q2BZ66J9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%