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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 6457   
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
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130367
PNG
(US8822534, Example 11-14)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1
Show InChI InChI=1S/C20H17ClN2O5/c21-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-19(25)26)22-20(27)17-11-18(24)23-28-17/h1-7,9,11,16H,8,10H2,(H,22,27)(H,23,24)(H,25,26)/t16-/m1/s1
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n/an/a 0.0700n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130365
PNG
(US8822534, Example 11-1 | US8822534, Example 12-1 ...)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
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n/an/a 0.200n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130366
PNG
(US8822534, Example 11-11 | US8993631, 9-6)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(F)(F)C(F)(F)C(O)=O
Show InChI InChI=1S/C20H16ClF4NO5/c21-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(27)28)26-17(29)19(22,23)20(24,25)18(30)31/h1-7,9,15H,8,10H2,(H,26,29)(H,27,28)(H,30,31)/t15-/m1/s1
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n/an/a 0.5n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130360
PNG
(US8822534, Example 5-46 | US8993631, 5-9)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1n[nH]c(=O)o1
Show InChI InChI=1S/C19H16ClN3O5/c20-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(24)25)21-17(26)18-22-23-19(27)28-18/h1-7,9,15H,8,10H2,(H,21,26)(H,23,27)(H,24,25)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130362
PNG
(US8822534, Example 5-55 | US8993631, 5-11)
Show SMILES COc1ccc(F)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2cc(O)no2)cc1
Show InChI InChI=1S/C21H19FN2O6/c1-29-17-7-6-14(22)9-16(17)13-4-2-12(3-5-13)8-15(10-20(26)27)23-21(28)18-11-19(25)24-30-18/h2-7,9,11,15H,8,10H2,1H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m1/s1
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n/an/a 0.700n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130359
PNG
(US8822534, Example 5-39 | US8993631, 5-8)
Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1
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n/an/a 0.700n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130369
PNG
(US8822534, Example 14-1 | US8993631, 11-1)
Show SMILES OC(=O)CNC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN2O5/c20-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-17(23)24)22-19(27)21-11-18(25)26/h1-7,9,16H,8,10-11H2,(H,23,24)(H,25,26)(H2,21,22,27)/t16-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130365
PNG
(US8822534, Example 11-1 | US8822534, Example 12-1 ...)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130370
PNG
(US8822534, Example 15-1 | US8993631, 12-1)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1nn[nH]n1
Show InChI InChI=1S/C18H16ClN5O3/c19-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(25)26)20-18(27)17-21-23-24-22-17/h1-7,9,15H,8,10H2,(H,20,27)(H,25,26)(H,21,22,23,24)/t15-/m1/s1
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n/an/a 1.20n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130358
PNG
(US8822534, Example 5-37 | US8993631, 5-7)
Show SMILES COc1ccc(F)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H22FNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130361
PNG
(US8822534, Example 5-47 | US8993631, 5-10)
Show SMILES CCc1ncc(o1)C(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O4/c1-2-20-24-13-19(29-20)22(28)25-18(12-21(26)27)10-14-6-8-15(9-7-14)16-4-3-5-17(23)11-16/h3-9,11,13,18H,2,10,12H2,1H3,(H,25,28)(H,26,27)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130356
PNG
(US8822534, Example 5-11 | US8993631, 5-4)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cnc(O)nc1
Show InChI InChI=1S/C21H19N3O4/c25-19(26)11-18(24-20(27)17-12-22-21(28)23-13-17)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,18H,10-11H2,(H,24,27)(H,25,26)(H,22,23,28)/t18-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130355
PNG
(US8822534, Example 5-7 | US8993631, 5-3)
Show SMILES COc1ccccc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H23NO6/c1-28-18-5-3-2-4-17(18)15-8-6-14(7-9-15)12-16(13-21(26)27)22-19(23)10-11-20(24)25/h2-9,16H,10-13H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t16-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130354
PNG
(US8822534, Example 5-4 | US8993631, 5-2)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(F)c1
Show InChI InChI=1S/C20H20FNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130352
PNG
(US8822534, Example 3-27)
Show SMILES OC(=O)CC(Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCC(=O)Oc1ccc2CCCc2c1
Show InChI InChI=1S/C29H28ClNO5/c30-24-6-2-5-22(16-24)21-9-7-19(8-10-21)15-25(18-28(33)34)31-27(32)13-14-29(35)36-26-12-11-20-3-1-4-23(20)17-26/h2,5-12,16-17,25H,1,3-4,13-15,18H2,(H,31,32)(H,33,34)
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130351
PNG
(US8822534, Example 3-26 | US8993631, 3-13)
Show SMILES CCOC(=O)CCCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H26ClNO5/c1-2-30-23(29)8-4-7-21(26)25-20(15-22(27)28)13-16-9-11-17(12-10-16)18-5-3-6-19(24)14-18/h3,5-6,9-12,14,20H,2,4,7-8,13,15H2,1H3,(H,25,26)(H,27,28)/t20-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130350
PNG
(US8822534, Example 3-25 | US8993631, 3-12)
Show SMILES CCCCOC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO5/c1-2-3-13-31-24(30)12-11-22(27)26-21(16-23(28)29)14-17-7-9-18(10-8-17)19-5-4-6-20(25)15-19/h4-10,15,21H,2-3,11-14,16H2,1H3,(H,26,27)(H,28,29)/t21-/m1/s1
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US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM7494
PNG
(US8822534, 5-36 | US8822534, Example 5-1 | US89936...)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21NO5/c22-18(10-11-19(23)24)21-17(13-20(25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,21,22)(H,23,24)(H,25,26)/t17-/m1/s1
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US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM7494
PNG
(US8822534, 5-36 | US8822534, Example 5-1 | US89936...)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21NO5/c22-18(10-11-19(23)24)21-17(13-20(25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,21,22)(H,23,24)(H,25,26)/t17-/m1/s1
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US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130364
PNG
(US8822534, Example 9-1 | US8993631, 8-1)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1nnn[nH]1
Show InChI InChI=1S/C18H17N5O3/c24-16(25)11-15(19-18(26)17-20-22-23-21-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,26)(H,24,25)(H,20,21,22,23)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130357
PNG
(US8822534, Example 5-12 | US8993631, 5-5)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(ncn1)C(O)=O
Show InChI InChI=1S/C22H19N3O5/c26-20(27)11-17(25-21(28)18-12-19(22(29)30)24-13-23-18)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,17H,10-11H2,(H,25,28)(H,26,27)(H,29,30)/t17-/m1/s1
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UniProtKB/SwissProt

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UniChem

Similars

US Patent
n/an/a 67n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130363
PNG
(US8822534, Example 6-1 | US8993631, 6-1)
Show SMILES OC(=O)CCNC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21NO5/c22-18(23)10-11-21-20(26)17(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-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair