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Compile Data Set for Download or QSAR

Found 66 hits from Ehime University   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129699
PNG
(CHEMBL3628776)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C27H44N3O4P/c1-6-33-35(32,34-7-2)24(26(3,4)5)29-23-10-8-19(9-11-23)18-28-25(31)30-27-15-20-12-21(16-27)14-22(13-20)17-27/h8-11,20-22,24,29H,6-7,12-18H2,1-5H3,(H2,28,30,31)
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n/an/a 0.960n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445106
PNG
(CHEMBL3103821)
Show SMILES CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H32N4O4/c1-26(20(28)21(29)27(2)31-3)19-6-4-15(5-7-19)14-24-22(30)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18H,8-14H2,1-3H3,(H2,24,25,30)
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n/an/a 1.20n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129697
PNG
(CHEMBL3628778)
Show SMILES CC(C)OP(=O)(OC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C29H48N3O4P/c1-19(2)35-37(34,36-20(3)4)26(28(5,6)7)31-25-10-8-21(9-11-25)18-30-27(33)32-29-15-22-12-23(16-29)14-24(13-22)17-29/h8-11,19-20,22-24,26,31H,12-18H2,1-7H3,(H2,30,32,33)
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n/an/a 1.70n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129695
PNG
(CHEMBL3628780)
Show SMILES CC(C)COP(=O)(OCC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C31H52N3O4P/c1-21(2)19-37-39(36,38-20-22(3)4)28(30(5,6)7)33-27-10-8-23(9-11-27)18-32-29(35)34-31-15-24-12-25(16-31)14-26(13-24)17-31/h8-11,21-22,24-26,28,33H,12-20H2,1-7H3,(H2,32,34,35)
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n/an/a 1.80n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129686
PNG
(CHEMBL3629068)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)26(27(3,4)5)30-24-10-8-20(9-11-24)19-29-25(31)18-28-15-21-12-22(16-28)14-23(13-21)17-28/h8-11,21-23,26,30H,6-7,12-19H2,1-5H3,(H,29,31)
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n/an/a 1.90n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129694
PNG
(CHEMBL3628781)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C37H48N3O4P/c1-36(2,3)34(45(42,43-25-28-10-6-4-7-11-28)44-26-29-12-8-5-9-13-29)39-33-16-14-27(15-17-33)24-38-35(41)40-37-21-30-18-31(22-37)20-32(19-30)23-37/h4-17,30-32,34,39H,18-26H2,1-3H3,(H2,38,40,41)
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n/an/a 2.60n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129691
PNG
(CHEMBL3629063)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C2CCc3ccccc3C2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H39N2O4P/c1-6-32-34(31,33-7-2)26(27(3,4)5)29-24-16-12-20(13-17-24)19-28-25(30)23-15-14-21-10-8-9-11-22(21)18-23/h8-13,16-17,23,26,29H,6-7,14-15,18-19H2,1-5H3,(H,28,30)
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n/an/a 3n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129696
PNG
(CHEMBL3628779)
Show SMILES CCCCOP(=O)(OCCCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C31H52N3O4P/c1-6-8-14-37-39(36,38-15-9-7-2)28(30(3,4)5)33-27-12-10-23(11-13-27)22-32-29(35)34-31-19-24-16-25(20-31)18-26(17-24)21-31/h10-13,24-26,28,33H,6-9,14-22H2,1-5H3,(H2,32,34,35)
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n/an/a 3n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129654
PNG
(CHEMBL3629069)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1)C(C)(C)C
Show InChI InChI=1S/C28H37N2O4P/c1-6-33-35(32,34-7-2)27(28(3,4)5)30-25-16-13-21(14-17-25)20-29-26(31)19-22-12-15-23-10-8-9-11-24(23)18-22/h8-18,27,30H,6-7,19-20H2,1-5H3,(H,29,31)
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n/an/a 3.40n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129698
PNG
(CHEMBL3628777)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F
Show InChI InChI=1S/C27H38F6N3O4P/c1-24(2,3)22(41(38,39-15-26(28,29)30)40-16-27(31,32)33)35-21-6-4-17(5-7-21)14-34-23(37)36-25-11-18-8-19(12-25)10-20(9-18)13-25/h4-7,18-20,22,35H,8-16H2,1-3H3,(H2,34,36,37)
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n/an/a 3.80n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445105
PNG
(CHEMBL3103817)
Show SMILES CON(C)C(=O)C(=O)N(C)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31N3O4/c1-25(21(28)22(29)26(2)30-3)19-6-4-18(5-7-19)24-20(27)14-23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,8-14H2,1-3H3,(H,24,27)
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n/an/a 4.40n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445104
PNG
(CHEMBL3103820)
Show SMILES CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C22H30N4O4/c1-26(30-2)20(28)19(27)24-18-5-3-14(4-6-18)13-23-21(29)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-13H2,1-2H3,(H,24,27)(H2,23,25,29)
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n/an/a 5n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129706
PNG
(CHEMBL3628769)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C27H43N2O4P/c1-6-32-34(31,33-7-2)25(26(3,4)5)29-23-10-8-19(9-11-23)18-28-24(30)27-15-20-12-21(16-27)14-22(13-20)17-27/h8-11,20-22,25,29H,6-7,12-18H2,1-5H3,(H,28,30)
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n/an/a 5.10n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445103
PNG
(CHEMBL3103818)
Show SMILES CONC(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N4O4/c1-29-25-19(27)18(26)23-17-4-2-13(3-5-17)12-22-20(28)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,23,26)(H,25,27)(H2,22,24,28)
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n/an/a 6.60n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129703
PNG
(CHEMBL3628772)
Show SMILES CC(C)OP(=O)(OC(C)C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C29H47N2O4P/c1-19(2)34-36(33,35-20(3)4)27(28(5,6)7)31-25-10-8-21(9-11-25)18-30-26(32)29-15-22-12-23(16-29)14-24(13-22)17-29/h8-11,19-20,22-24,27,31H,12-18H2,1-7H3,(H,30,32)
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n/an/a 6.70n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445102
PNG
(CHEMBL3103786)
Show SMILES CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H33N3O4/c1-26(22(29)23(30)27(2)31-3)20-6-4-16(5-7-20)15-25-21(28)14-24-11-17-8-18(12-24)10-19(9-17)13-24/h4-7,17-19H,8-15H2,1-3H3,(H,25,28)
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n/an/a 7.90n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129688
PNG
(CHEMBL3629066)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)26(27(3,4)5)30-24-10-8-20(9-11-24)12-13-29-25(31)28-17-21-14-22(18-28)16-23(15-21)19-28/h8-11,21-23,26,30H,6-7,12-19H2,1-5H3,(H,29,31)
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n/an/a 8.20n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129701
PNG
(CHEMBL3628774)
Show SMILES CC(C)COP(=O)(OCC(C)C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C31H51N2O4P/c1-21(2)19-36-38(35,37-20-22(3)4)29(30(5,6)7)33-27-10-8-23(9-11-27)18-32-28(34)31-15-24-12-25(16-31)14-26(13-24)17-31/h8-11,21-22,24-26,29,33H,12-20H2,1-7H3,(H,32,34)
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n/an/a 16n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445101
PNG
(CHEMBL1539296)
Show SMILES O=C(NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H24N2O/c21-17(19-12-13-4-2-1-3-5-13)20-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20,21)
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n/an/a 16n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129690
PNG
(CHEMBL3629064)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)c2ccc3cc(O)ccc3c2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N2O5P/c1-6-33-35(32,34-7-2)26(27(3,4)5)29-23-13-8-19(9-14-23)18-28-25(31)22-11-10-21-17-24(30)15-12-20(21)16-22/h8-17,26,29-30H,6-7,18H2,1-5H3,(H,28,31)
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n/an/a 17n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445099
PNG
(CHEMBL3103822)
Show SMILES O=C(NCc1ccc(NC(=O)C(=O)NOC2CCCCO2)cc1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C25H34N4O5/c30-22(23(31)29-34-21-3-1-2-8-33-21)27-20-6-4-16(5-7-20)15-26-24(32)28-25-12-17-9-18(13-25)11-19(10-17)14-25/h4-7,17-19,21H,1-3,8-15H2,(H,27,30)(H,29,31)(H2,26,28,32)
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n/an/a 19n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445100
PNG
(CHEMBL3103819)
Show SMILES CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H34N4O4/c1-23(2,3)32-28-21(30)20(29)26-19-6-4-15(5-7-19)14-25-22(31)27-24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,16-18H,8-14H2,1-3H3,(H,26,29)(H,28,30)(H2,25,27,31)
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n/an/a 19n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129709
PNG
(CHEMBL3628766)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CC1
Show InChI InChI=1S/C26H39N2O4P/c1-3-31-33(30,32-4-2)24(22-7-8-22)28-23-9-5-18(6-10-23)17-27-25(29)26-14-19-11-20(15-26)13-21(12-19)16-26/h5-6,9-10,19-22,24,28H,3-4,7-8,11-17H2,1-2H3,(H,27,29)
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n/an/a 21n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129693
PNG
(CHEMBL3628782)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C2CCCCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C23H39N2O4P/c1-6-28-30(27,29-7-2)22(23(3,4)5)25-20-15-13-18(14-16-20)17-24-21(26)19-11-9-8-10-12-19/h13-16,19,22,25H,6-12,17H2,1-5H3,(H,24,26)
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n/an/a 23n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129692
PNG
(CHEMBL3628783)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1)C(C)(C)C
Show InChI InChI=1S/C24H32F3N2O5P/c1-6-32-35(31,33-7-2)22(23(3,4)5)29-19-12-8-17(9-13-19)16-28-21(30)18-10-14-20(15-11-18)34-24(25,26)27/h8-15,22,29H,6-7,16H2,1-5H3,(H,28,30)
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n/an/a 24n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129702
PNG
(CHEMBL3628773)
Show SMILES CCCCOP(=O)(OCCCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C31H51N2O4P/c1-6-8-14-36-38(35,37-15-9-7-2)29(30(3,4)5)33-27-12-10-23(11-13-27)22-32-28(34)31-19-24-16-25(20-31)18-26(17-24)21-31/h10-13,24-26,29,33H,6-9,14-22H2,1-5H3,(H,32,34)
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n/an/a 26n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129704
PNG
(CHEMBL3628771)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F
Show InChI InChI=1S/C27H37F6N2O4P/c1-24(2,3)23(40(37,38-15-26(28,29)30)39-16-27(31,32)33)35-21-6-4-17(5-7-21)14-34-22(36)25-11-18-8-19(12-25)10-20(9-18)13-25/h4-7,18-20,23,35H,8-16H2,1-3H3,(H,34,36)
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n/an/a 30n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445098
PNG
(CHEMBL3103787)
Show SMILES CON(C)C(=O)C(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C22H29N3O4/c1-25(29-2)21(28)20(27)24-18-5-3-17(4-6-18)23-19(26)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,7-13H2,1-2H3,(H,23,26)(H,24,27)
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n/an/a 35n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129689
PNG
(CHEMBL3629065)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C26H41N2O4P/c1-6-31-33(30,32-7-2)24(25(3,4)5)28-22-10-8-21(9-11-22)27-23(29)26-15-18-12-19(16-26)14-20(13-18)17-26/h8-11,18-20,24,28H,6-7,12-17H2,1-5H3,(H,27,29)
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n/an/a 37n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129705
PNG
(CHEMBL3628770)
Show SMILES CCOP(=O)(OCC)C(CC(C)(C)C)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)25(18-27(3,4)5)30-24-10-8-20(9-11-24)19-29-26(31)28-15-21-12-22(16-28)14-23(13-21)17-28/h8-11,21-23,25,30H,6-7,12-19H2,1-5H3,(H,29,31)
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n/an/a 41n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129700
PNG
(CHEMBL3628775)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C37H47N2O4P/c1-36(2,3)35(44(41,42-25-28-10-6-4-7-11-28)43-26-29-12-8-5-9-13-29)39-33-16-14-27(15-17-33)24-38-34(40)37-21-30-18-31(22-37)20-32(19-30)23-37/h4-17,30-32,35,39H,18-26H2,1-3H3,(H,38,40)
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n/an/a 42n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129687
PNG
(CHEMBL3629067)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)26(27(3,4)5)29-24-11-8-20(9-12-24)10-13-25(31)30-28-17-21-14-22(18-28)16-23(15-21)19-28/h8-9,11-12,21-23,26,29H,6-7,10,13-19H2,1-5H3,(H,30,31)
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n/an/a 43n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129737
PNG
(CHEMBL3628409)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1
Show InChI InChI=1S/C29H39N2O4P/c1-3-34-36(33,35-4-2)27(25-8-6-5-7-9-25)31-26-12-10-21(11-13-26)20-30-28(32)29-17-22-14-23(18-29)16-24(15-22)19-29/h5-13,22-24,27,31H,3-4,14-20H2,1-2H3,(H,30,32)
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n/an/a 45n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129708
PNG
(CHEMBL3628767)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1
Show InChI InChI=1S/C29H45N2O4P/c1-3-34-36(33,35-4-2)27(25-8-6-5-7-9-25)31-26-12-10-21(11-13-26)20-30-28(32)29-17-22-14-23(18-29)16-24(15-22)19-29/h10-13,22-25,27,31H,3-9,14-20H2,1-2H3,(H,30,32)
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n/an/a 46n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445097
PNG
(CHEMBL3103800)
Show SMILES O=C(NOCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C19H24N2O3/c22-18(19(23)21-24-11-12-4-2-1-3-5-12)20-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-17H,6-11H2,(H,20,22)(H,21,23)
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n/an/a 50n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129707
PNG
(CHEMBL3628768)
Show SMILES CCCC(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC)OCC
Show InChI InChI=1S/C26H41N2O4P/c1-4-7-24(33(30,31-5-2)32-6-3)28-23-10-8-19(9-11-23)18-27-25(29)26-15-20-12-21(16-26)14-22(13-20)17-26/h8-11,20-22,24,28H,4-7,12-18H2,1-3H3,(H,27,29)
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Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445096
PNG
(CHEMBL3103816)
Show SMILES CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31N3O4/c1-26(30-2)22(29)21(28)25-19-5-3-15(4-6-19)14-24-20(27)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-14H2,1-2H3,(H,24,27)(H,25,28)
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n/an/a 69n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129711
PNG
(CHEMBL3628764)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H39N2O5P/c1-3-36-38(35,37-4-2)28(27(33)25-8-6-5-7-9-25)32-26-12-10-21(11-13-26)20-31-29(34)30-17-22-14-23(18-30)16-24(15-22)19-30/h5-13,22-24,28,32H,3-4,14-20H2,1-2H3,(H,31,34)
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n/an/a 69n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129713
PNG
(CHEMBL3628415)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H38N3O4P/c1-3-36-38(35,37-4-2)28(26-9-5-21(19-31)6-10-26)33-27-11-7-22(8-12-27)20-32-29(34)30-16-23-13-24(17-30)15-25(14-23)18-30/h5-12,23-25,28,33H,3-4,13-18,20H2,1-2H3,(H,32,34)
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n/an/a 108n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129714
PNG
(CHEMBL3628414)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H38FN2O4P/c1-3-35-37(34,36-4-2)27(24-7-9-25(30)10-8-24)32-26-11-5-20(6-12-26)19-31-28(33)29-16-21-13-22(17-29)15-23(14-21)18-29/h5-12,21-23,27,32H,3-4,13-19H2,1-2H3,(H,31,33)
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n/an/a 120n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129736
PNG
(CHEMBL3628410)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C30H41N2O4P/c1-4-35-37(34,36-5-2)28(26-10-6-21(3)7-11-26)32-27-12-8-22(9-13-27)20-31-29(33)30-17-23-14-24(18-30)16-25(15-23)19-30/h6-13,23-25,28,32H,4-5,14-20H2,1-3H3,(H,31,33)
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n/an/a 130n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129712
PNG
(CHEMBL3628416)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccncc1
Show InChI InChI=1S/C28H38N3O4P/c1-3-34-36(33,35-4-2)26(24-9-11-29-12-10-24)31-25-7-5-20(6-8-25)19-30-27(32)28-16-21-13-22(17-28)15-23(14-21)18-28/h5-12,21-23,26,31H,3-4,13-19H2,1-2H3,(H,30,32)
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n/an/a 185n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129710
PNG
(CHEMBL3628765)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H41N2O4P/c1-3-38-40(37,39-4-2)31(29-12-11-27-7-5-6-8-28(27)18-29)35-30-13-9-23(10-14-30)22-34-32(36)33-19-24-15-25(20-33)17-26(16-24)21-33/h5-14,18,24-26,31,35H,3-4,15-17,19-22H2,1-2H3,(H,34,36)
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n/an/a 186n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445095
PNG
(CHEMBL3103813)
Show SMILES CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C22H29N3O4/c1-25(29-2)20(27)19(26)24-18-5-3-14(4-6-18)13-23-21(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-13H2,1-2H3,(H,23,28)(H,24,26)
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n/an/a 190n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129735
PNG
(CHEMBL3628411)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C33H47N2O4P/c1-6-38-40(37,39-7-2)30(27-10-12-28(13-11-27)32(3,4)5)35-29-14-8-23(9-15-29)22-34-31(36)33-19-24-16-25(20-33)18-26(17-24)21-33/h8-15,24-26,30,35H,6-7,16-22H2,1-5H3,(H,34,36)
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n/an/a 192n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129734
PNG
(CHEMBL3628412)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C30H41N2O5P/c1-4-36-38(34,37-5-2)28(25-8-12-27(35-3)13-9-25)32-26-10-6-21(7-11-26)20-31-29(33)30-17-22-14-23(18-30)16-24(15-22)19-30/h6-13,22-24,28,32H,4-5,14-20H2,1-3H3,(H,31,33)
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n/an/a 199n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445094
PNG
(CHEMBL3103814)
Show SMILES CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31N3O4/c1-25(20(27)21(28)26(2)30-3)19-6-4-15(5-7-19)14-24-22(29)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18H,8-14H2,1-3H3,(H,24,29)
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n/an/a 204n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129715
PNG
(CHEMBL3628413)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C31H41N2O6P/c1-4-38-40(36,39-5-2)28(25-8-10-26(11-9-25)29(34)37-3)33-27-12-6-21(7-13-27)20-32-30(35)31-17-22-14-23(18-31)16-24(15-22)19-31/h6-13,22-24,28,33H,4-5,14-20H2,1-3H3,(H,32,35)
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n/an/a 230n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445093
PNG
(CHEMBL3103811)
Show SMILES CONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H27N3O4/c1-28-24-19(26)18(25)23-17-4-2-13(3-5-17)12-22-20(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,27)(H,23,25)(H,24,26)
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n/an/a 280n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50445092
PNG
(CHEMBL3103812)
Show SMILES CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H33N3O4/c1-23(2,3)31-27-21(29)20(28)26-19-6-4-15(5-7-19)14-25-22(30)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,16-18H,8-14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)
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Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...


Bioorg Med Chem 22: 1163-75 (2014)


Article DOI: 10.1016/j.bmc.2013.12.027
BindingDB Entry DOI: 10.7270/Q2CC1258
More data for this
Ligand-Target Pair
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