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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50006072   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327846
PNG
(1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
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n/an/a 0.400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin)


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496759
PNG
(CHEMBL3222130)
Show SMILES CC(C)(C)OC(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1
Show InChI InChI=1S/C31H47N3O4/c1-30(2,3)38-29(36)34-12-10-33(11-13-34)9-4-5-14-37-27-8-6-7-26(18-27)32-28(35)22-31-19-23-15-24(20-31)17-25(16-23)21-31/h6-8,18,23-25H,4-5,9-17,19-22H2,1-3H3,(H,32,35)
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n/an/a 0.400n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496748
PNG
(CHEMBL3222118)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C27H38N4O4/c1-26(2,3)35-25(34)31-10-8-30(9-11-31)23(32)21-4-6-22(7-5-21)28-24(33)29-27-15-18-12-19(16-27)14-20(13-18)17-27/h4-7,18-20H,8-17H2,1-3H3,(H2,28,29,33)
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n/an/a 0.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496754
PNG
(CHEMBL3222131)
Show SMILES CS(=O)(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1
Show InChI InChI=1S/C27H41N3O4S/c1-35(32,33)30-10-8-29(9-11-30)7-2-3-12-34-25-6-4-5-24(16-25)28-26(31)20-27-17-21-13-22(18-27)15-23(14-21)19-27/h4-6,16,21-23H,2-3,7-15,17-20H2,1H3,(H,28,31)
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n/an/a 0.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496753
PNG
(CHEMBL3222129)
Show SMILES CC(=O)N1CCN(CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1
Show InChI InChI=1S/C28H41N3O3/c1-21(32)31-10-8-30(9-11-31)7-2-3-12-34-26-6-4-5-25(16-26)29-27(33)20-28-17-22-13-23(18-28)15-24(14-22)19-28/h4-6,16,22-24H,2-3,7-15,17-20H2,1H3,(H,29,33)
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n/an/a 0.600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496760
PNG
(CHEMBL3222119)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H32N4O4S/c1-32(30,31)27-8-6-26(7-9-27)21(28)19-2-4-20(5-3-19)24-22(29)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-5,16-18H,6-15H2,1H3,(H2,24,25,29)
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n/an/a 1n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496757
PNG
(CHEMBL3222121)
Show SMILES CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c3cccnc23)CC1
Show InChI InChI=1S/C32H45N5O4/c1-31(2,3)41-30(39)37-13-11-36(12-14-37)10-5-15-40-27-8-7-26(25-6-4-9-33-28(25)27)34-29(38)35-32-19-22-16-23(20-32)18-24(17-22)21-32/h4,6-9,22-24H,5,10-21H2,1-3H3,(H2,34,35,38)
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n/an/a 6.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496746
PNG
(CHEMBL3222115)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C27H38N4O4/c1-26(2,3)35-25(34)31-9-7-30(8-10-31)23(32)21-5-4-6-22(14-21)28-24(33)29-27-15-18-11-19(16-27)13-20(12-18)17-27/h4-6,14,18-20H,7-13,15-17H2,1-3H3,(H2,28,29,33)
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n/an/a 7.30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496747
PNG
(CHEMBL3222117)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N4O3/c1-16(29)27-6-8-28(9-7-27)22(30)20-2-4-21(5-3-20)25-23(31)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,17-19H,6-15H2,1H3,(H2,25,26,31)
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n/an/a 9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496758
PNG
(CHEMBL3222124)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H47N5O5/c1-28(2,3)39-27(38)34-12-10-33(11-13-34)25(36)5-4-24(35)32-8-6-23(7-9-32)30-26(37)31-29-17-20-14-21(18-29)16-22(15-20)19-29/h20-23H,4-19H2,1-3H3,(H2,30,31,37)
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n/an/a 19n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496756
PNG
(CHEMBL3222116)
Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C23H32N4O4S/c1-32(30,31)27-7-5-26(6-8-27)21(28)19-3-2-4-20(12-19)24-22(29)25-23-13-16-9-17(14-23)11-18(10-16)15-23/h2-4,12,16-18H,5-11,13-15H2,1H3,(H2,24,25,29)
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n/an/a 42n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496751
PNG
(CHEMBL3222123)
Show SMILES CC(=O)N1CCN(CC1)C(=O)CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H41N5O4/c1-18(32)29-8-10-31(11-9-29)24(34)3-2-23(33)30-6-4-22(5-7-30)27-25(35)28-26-15-19-12-20(16-26)14-21(13-19)17-26/h19-22H,2-17H2,1H3,(H2,27,28,35)
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n/an/a 45n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496745
PNG
(CHEMBL3222114)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C24H32N4O3/c1-16(29)27-5-7-28(8-6-27)22(30)20-3-2-4-21(12-20)25-23(31)26-24-13-17-9-18(14-24)11-19(10-17)15-24/h2-4,12,17-19H,5-11,13-15H2,1H3,(H2,25,26,31)
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n/an/a 46n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496752
PNG
(CHEMBL3222128)
Show SMILES CN1CCN(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H27N3O/c1-18-2-4-19(5-3-18)15(20)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,2-11H2,1H3,(H,17,20)
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n/an/a 64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50317316
PNG
(1-Adamantan-1-yl-3-[4-(piperazine-1-carbonyl)-phen...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCNCC1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N4O2/c27-20(26-7-5-23-6-8-26)18-1-3-19(4-2-18)24-21(28)25-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-4,15-17,23H,5-14H2,(H2,24,25,28)
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n/an/a 67n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496750
PNG
(CHEMBL3222122)
Show SMILES O=C(NC1CCN(CC1)C(=O)CCC(=O)N1CCNCC1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H39N5O3/c30-21(1-2-22(31)29-9-5-25-6-10-29)28-7-3-20(4-8-28)26-23(32)27-24-14-17-11-18(15-24)13-19(12-17)16-24/h17-20,25H,1-16H2,(H2,26,27,32)
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n/an/a 77n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496743
PNG
(CHEMBL3222113)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCNCC1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N4O2/c27-20(26-6-4-23-5-7-26)18-2-1-3-19(11-18)24-21(28)25-22-12-15-8-16(13-22)10-17(9-15)14-22/h1-3,11,15-17,23H,4-10,12-14H2,(H2,24,25,28)
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n/an/a 133n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496749
PNG
(CHEMBL3222120)
Show SMILES CC(=O)N1CCN(CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c3cccnc23)CC1
Show InChI InChI=1S/C29H39N5O3/c1-20(35)34-11-9-33(10-12-34)8-3-13-37-26-6-5-25(24-4-2-7-30-27(24)26)31-28(36)32-29-17-21-14-22(18-29)16-23(15-21)19-29/h2,4-7,21-23H,3,8-19H2,1H3,(H2,31,32,36)
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n/an/a 142n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496744
PNG
(CHEMBL3222126)
Show SMILES CC(=O)N1CCN(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H27N3O2/c1-12(21)19-2-4-20(5-3-19)16(22)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-11H2,1H3,(H,18,22)
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n/an/a 321n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496761
PNG
(CHEMBL3222127)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H33N3O3/c1-19(2,3)26-18(25)23-6-4-22(5-7-23)17(24)21-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-16H,4-13H2,1-3H3,(H,21,24)
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n/an/a 490n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496742
PNG
(CHEMBL3222112)
Show SMILES O=C(NCC[C@H]1CN[C@@H](Cc2ccccc2)CN1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H36N4O/c29-23(28-24-12-18-8-19(13-24)10-20(9-18)14-24)25-7-6-21-15-27-22(16-26-21)11-17-4-2-1-3-5-17/h1-5,18-22,26-27H,6-16H2,(H2,25,28,29)/t18?,19?,20?,21-,22-,24?/m0/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin)


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50496755
PNG
(CHEMBL3222125)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1CCNCC1
Show InChI InChI=1S/C15H25N3O/c19-14(18-3-1-16-2-4-18)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,1-10H2,(H,17,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate a...


Medchemcomm 379-384 (2012)


Article DOI: 10.1039/c2md00288d
BindingDB Entry DOI: 10.7270/Q2JD50RG
More data for this
Ligand-Target Pair