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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50005247   
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))
BDBM50034841
PNG
((S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoyl)-p...)
Show SMILES OC(=O)CCNC(=O)[C@@H](CCC(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H23NO5/c23-19(24)11-10-18(21(27)22-13-12-20(25)26)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,27)(H,23,24)(H,25,26)/t18-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034846
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m1/s1
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n/an/a 0.740n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034851
PNG
(3-[(S)-3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C19H23N2O6P/c22-18(23)10-11-20-19(24)17(21-13-28(25,26)27)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,21H,10-13H2,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
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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n/an/a 1.5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034851
PNG
(3-[(S)-3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C19H23N2O6P/c22-18(23)10-11-20-19(24)17(21-13-28(25,26)27)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,21H,10-13H2,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034851
PNG
(3-[(S)-3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-p...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCP(O)(O)=O
Show InChI InChI=1S/C19H23N2O6P/c22-18(23)10-11-20-19(24)17(21-13-28(25,26)27)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,21H,10-13H2,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using ANF(atrial natriuretic factor) as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
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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n/an/a 4.80n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034842
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034846
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034846
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of neutral endopeptidase by using ANF(atrial natriuretic factor) as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
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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n/an/a 8.30n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using ANF(atrial natriuretic factor) as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Rattus norvegicus (Rat))
BDBM50017733
PNG
((2S,4S)-2-Benzyl-4-(2-carboxy-ethylcarbamoyl)-5-ph...)
Show SMILES OC(=O)CCNC(=O)[C@@H](C[C@@H](Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034855
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(2-carboxy-2-hydroxy-eth...)
Show SMILES COc1ccc(C[C@H](C[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)NCC(O)C(O)=O)C(O)=O)cc1OC
Show InChI InChI=1S/C30H33NO8/c1-38-26-13-10-20(16-27(26)39-2)15-24(29(34)35)17-23(28(33)31-18-25(32)30(36)37)14-19-8-11-22(12-9-19)21-6-4-3-5-7-21/h3-13,16,23-25,32H,14-15,17-18H2,1-2H3,(H,31,33)(H,34,35)(H,36,37)/t23-,24-,25?/m1/s1
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n/an/a 11n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034856
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES OC(=O)CCNC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)-c1nccs1)C(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O5S/c34-28(35)14-15-32-29(36)26(18-21-6-10-24(11-7-21)23-4-2-1-3-5-23)20-27(31(37)38)19-22-8-12-25(13-9-22)30-33-16-17-39-30/h1-13,16-17,26-27H,14-15,18-20H2,(H,32,36)(H,34,35)(H,37,38)/t26-,27-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034850
PNG
((R)-2-[(S)-3-Biphenyl-4-yl-2-(2-carboxy-2-hydroxy-...)
Show SMILES CCCC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(O)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H31NO6/c1-2-3-7-20(24(29)30)15-21(23(28)26-16-22(27)25(31)32)14-17-10-12-19(13-11-17)18-8-5-4-6-9-18/h4-6,8-13,20-22,27H,2-3,7,14-16H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t20-,21-,22?/m1/s1
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n/an/a 21n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034865
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034848
PNG
(4-(2-Carboxy-ethylcarbamoyl)-2-(4-pyrrol-1-yl-benz...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccc(cc1)-n1cccc1)C(O)=O)Cc1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C30H31N3O5/c34-28(35)13-14-31-29(36)24(19-22-5-9-26(10-6-22)32-15-1-2-16-32)21-25(30(37)38)20-23-7-11-27(12-8-23)33-17-3-4-18-33/h1-12,15-18,24-25H,13-14,19-21H2,(H,31,36)(H,34,35)(H,37,38)
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n/an/a 36n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034840
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(21(26)23-12-11-20(24)25)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t15-,19+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034844
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES OC(=O)CCNC(=O)[C@@H](C[C@@H](Oc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c29-25(30)15-16-28-26(31)22(18-24(27(32)33)34-23-9-5-2-6-10-23)17-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22,24H,15-18H2,(H,28,31)(H,29,30)(H,32,33)/t22-,24-/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034844
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES OC(=O)CCNC(=O)[C@@H](C[C@@H](Oc1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c29-25(30)15-16-28-26(31)22(18-24(27(32)33)34-23-9-5-2-6-10-23)17-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-14,22,24H,15-18H2,(H,28,31)(H,29,30)(H,32,33)/t22-,24-/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034867
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES COCC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H29NO6/c1-31-14-12-20(24(29)30)16-21(23(28)25-13-11-22(26)27)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20-21H,11-16H2,1H3,(H,25,28)(H,26,27)(H,29,30)/t20-,21-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034858
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(4-carboxy-butyrylamino)...)
Show SMILES CO[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H27NO6/c1-30-20(23(28)29)15-19(24-21(25)8-5-9-22(26)27)14-16-10-12-18(13-11-16)17-6-3-2-4-7-17/h2-4,6-7,10-13,19-20H,5,8-9,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t19-,20-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034847
PNG
(5-Biphenyl-4-yl-2-biphenyl-4-ylmethyl-4-(2-carboxy...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccc(cc1)-c1ccccc1)C(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H33NO5/c36-32(37)19-20-35-33(38)30(21-24-11-15-28(16-12-24)26-7-3-1-4-8-26)23-31(34(39)40)22-25-13-17-29(18-14-25)27-9-5-2-6-10-27/h1-18,30-31H,19-23H2,(H,35,38)(H,36,37)(H,39,40)
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n/an/a 49n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034861
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES COc1ccc(C[C@H](C[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)NCCC(O)=O)C(O)=O)cc1OC
Show InChI InChI=1S/C30H33NO7/c1-37-26-13-10-21(18-27(26)38-2)17-25(30(35)36)19-24(29(34)31-15-14-28(32)33)16-20-8-11-23(12-9-20)22-6-4-3-5-7-22/h3-13,18,24-25H,14-17,19H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)/t24-,25-/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034862
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES Cc1ccc(cc1)[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C28H29NO5/c1-19-7-11-23(12-8-19)25(28(33)34)18-24(27(32)29-16-15-26(30)31)17-20-9-13-22(14-10-20)21-5-3-2-4-6-21/h2-14,24-25H,15-18H2,1H3,(H,29,32)(H,30,31)(H,33,34)/t24-,25+/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034853
PNG
((R)-2-[(S)-3-Biphenyl-4-yl-2-(2-carboxy-ethylcarba...)
Show SMILES CCCC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C25H31NO5/c1-2-3-7-21(25(30)31)17-22(24(29)26-15-14-23(27)28)16-18-10-12-20(13-11-18)19-8-5-4-6-9-19/h4-6,8-13,21-22H,2-3,7,14-17H2,1H3,(H,26,29)(H,27,28)(H,30,31)/t21-,22-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034854
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(4-carboxy-butyrylamino)...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H27NO5/c1-16(23(28)29)14-20(24-21(25)8-5-9-22(26)27)15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-4,6-7,10-13,16,20H,5,8-9,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t16-,20+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034843
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(2-carboxy-acetylamino)-...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CC(O)=O)C(O)=O
Show InChI InChI=1S/C21H23NO5/c1-14(21(26)27)11-18(22-19(23)13-20(24)25)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t14-,18+/m1/s1
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n/an/a 92n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034864
PNG
((S)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamino)-p...)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O
Show InChI InChI=1S/C21H23NO5/c23-19(11-13-21(26)27)22-18(10-12-20(24)25)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034841
PNG
((S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoyl)-p...)
Show SMILES OC(=O)CCNC(=O)[C@@H](CCC(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H23NO5/c23-19(24)11-10-18(21(27)22-13-12-20(25)26)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,27)(H,23,24)(H,25,26)/t18-/m0/s1
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n/an/a 155n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034841
PNG
((S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoyl)-p...)
Show SMILES OC(=O)CCNC(=O)[C@@H](CCC(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H23NO5/c23-19(24)11-10-18(21(27)22-13-12-20(25)26)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,27)(H,23,24)(H,25,26)/t18-/m0/s1
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n/an/a 155n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034868
PNG
((2S,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034863
PNG
(4-(2-Carboxy-ethylcarbamoyl)-2-(4-phenoxy-benzyl)-...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccc(Oc2ccccc2)cc1)C(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C34H33NO7/c36-32(37)19-20-35-33(38)26(21-24-11-15-30(16-12-24)41-28-7-3-1-4-8-28)23-27(34(39)40)22-25-13-17-31(18-14-25)42-29-9-5-2-6-10-29/h1-18,26-27H,19-23H2,(H,35,38)(H,36,37)(H,39,40)
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n/an/a 203n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034857
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(5-carboxy-pentanoylamin...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H29NO5/c1-17(24(29)30)15-21(25-22(26)9-5-6-10-23(27)28)16-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-4,7-8,11-14,17,21H,5-6,9-10,15-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t17-,21+/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034859
PNG
(4-(2-Carboxy-ethylcarbamoyl)-2-(4-isopropyl-benzyl...)
Show SMILES CC(C)c1ccc(CC(CC(Cc2ccc(cc2)C(C)C)C(=O)NCCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C28H37NO5/c1-18(2)22-9-5-20(6-10-22)15-24(27(32)29-14-13-26(30)31)17-25(28(33)34)16-21-7-11-23(12-8-21)19(3)4/h5-12,18-19,24-25H,13-17H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 489n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034860
PNG
(4-[4-Carboxy-2-(4-pyrrol-1-yl-benzyl)-5-(4-pyrrol-...)
Show SMILES OC(=O)C(CC(Cc1ccc(cc1)-n1cccc1)C(=O)NC1CCC(CC1)C(O)=O)Cc1ccc(cc1)-n1cccc1 |(11.9,-3.3,;10.57,-2.53,;10.57,-.99,;9.22,-3.3,;7.89,-2.53,;6.56,-3.3,;6.56,-4.84,;5.79,-6.17,;6.54,-7.5,;5.76,-8.83,;4.21,-8.83,;3.45,-7.47,;4.23,-6.14,;3.43,-10.15,;4.04,-11.56,;2.89,-12.58,;1.57,-11.79,;1.9,-10.3,;5.23,-2.53,;5.23,-.99,;3.9,-3.3,;2.57,-2.53,;1.24,-3.3,;-.11,-2.53,;-.11,-.98,;1.24,-.22,;2.57,-.99,;-1.44,-.21,;-1.44,1.33,;-2.78,-.98,;9.22,-4.84,;10.31,-5.93,;9.92,-7.4,;11,-8.48,;12.47,-8.08,;12.86,-6.59,;11.78,-5.51,;13.56,-9.17,;13.33,-10.69,;14.71,-11.39,;15.8,-10.3,;15.1,-8.92,)|
Show InChI InChI=1S/C34H37N3O5/c38-32(35-29-11-9-26(10-12-29)33(39)40)27(21-24-5-13-30(14-6-24)36-17-1-2-18-36)23-28(34(41)42)22-25-7-15-31(16-8-25)37-19-3-4-20-37/h1-8,13-20,26-29H,9-12,21-23H2,(H,35,38)(H,39,40)(H,41,42)
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034846
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034845
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES CO[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO6/c1-29-19(22(27)28)14-18(21(26)23-12-11-20(24)25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034845
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoy...)
Show SMILES CO[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO6/c1-29-19(22(27)28)14-18(21(26)23-12-11-20(24)25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034849
PNG
(4-(2-Carboxy-ethylcarbamoyl)-2-(4-thiazol-2-yl-ben...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccc(cc1)-c1nccs1)C(O)=O)Cc1ccc(cc1)-c1nccs1
Show InChI InChI=1S/C28H27N3O5S2/c32-24(33)9-10-29-25(34)22(15-18-1-5-20(6-2-18)26-30-11-13-37-26)17-23(28(35)36)16-19-3-7-21(8-4-19)27-31-12-14-38-27/h1-8,11-14,22-23H,9-10,15-17H2,(H,29,34)(H,32,33)(H,35,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034866
PNG
(2-Benzyl-4-(2-carboxy-ethylcarbamoyl)-5-phenyl-pen...)
Show SMILES OC(=O)CCNC(=O)C(CC(Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50017733
PNG
((2S,4S)-2-Benzyl-4-(2-carboxy-ethylcarbamoyl)-5-ph...)
Show SMILES OC(=O)CCNC(=O)[C@@H](C[C@@H](Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,23,26)(H,24,25)(H,27,28)/t18-,19-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50034852
PNG
((2R,4S)-2-Benzyl-4-(3-carboxy-propionylamino)-5-ph...)
Show SMILES OC(=O)CCC(=O)N[C@@H](C[C@@H](Cc1ccccc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25NO5/c24-20(11-12-21(25)26)23-19(14-17-9-5-2-6-10-17)15-18(22(27)28)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,23,24)(H,25,26)(H,27,28)/t18-,19-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair