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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50033931   
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))
BDBM50354041
PNG
(CHEMBL1829584)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C28H30N2O5/c31-26(32)17-18-29-27(33)25(30-24(28(34)35)16-13-20-7-3-1-4-8-20)19-21-11-14-23(15-12-21)22-9-5-2-6-10-22/h1-12,14-15,24-25,30H,13,16-19H2,(H,29,33)(H,31,32)(H,34,35)/t24-,25-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354042
PNG
(CHEMBL1829585)
Show SMILES C[C@@H](CNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C29H32N2O5/c1-20(28(33)34)19-30-27(32)26(31-25(29(35)36)17-14-21-8-4-2-5-9-21)18-22-12-15-24(16-13-22)23-10-6-3-7-11-23/h2-13,15-16,20,25-26,31H,14,17-19H2,1H3,(H,30,32)(H,33,34)(H,35,36)/t20-,25-,26-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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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PDB
Article
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n/an/a 2n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50354040
PNG
(CHEMBL1829583)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NCC(O)=O |r|
Show InChI InChI=1S/C20H22N2O5/c23-18(24)10-11-21-20(27)17(22-13-19(25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,21,27)(H,23,24)(H,25,26)/t17-/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354044
PNG
(CHEMBL1829587)
Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H25NO4/c27-24(28)22(16-13-18-7-3-1-4-8-18)26-23(25(29)30)17-19-11-14-21(15-12-19)20-9-5-2-6-10-20/h1-12,14-15,22-23,26H,13,16-17H2,(H,27,28)(H,29,30)/t22-,23-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354043
PNG
(CHEMBL1829586)
Show SMILES C[C@@H](CNC(=O)[C@H](Cc1ccc(C)cc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C24H30N2O5/c1-16-8-10-19(11-9-16)14-21(22(27)25-15-17(2)23(28)29)26-20(24(30)31)13-12-18-6-4-3-5-7-18/h3-11,17,20-21,26H,12-15H2,1-2H3,(H,25,27)(H,28,29)(H,30,31)/t17-,20-,21-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354039
PNG
(CHEMBL1829582)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)NCC(O)=O |r|
Show InChI InChI=1S/C14H18N2O5/c17-12(18)6-7-15-14(21)11(16-9-13(19)20)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,15,21)(H,17,18)(H,19,20)/t11-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Bioorg Med Chem 19: 5935-47 (2011)


Article DOI: 10.1016/j.bmc.2011.08.064
BindingDB Entry DOI: 10.7270/Q2154HF6
More data for this
Ligand-Target Pair