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PubMed code 26372074

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120491
PNG
(CHEMBL3617995)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(C)cc12 |r|
Show InChI InChI=1S/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3/t13-,14-,17-,19+,20-,21+/m1/s1
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 200n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mins by...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120489
PNG
(CHEMBL3617997)
Show SMILES [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
Show InChI InChI=1S/C26H30O12/c1-9-19(30)22(33)24(35)26(38-9)37-7-10-5-12-16(25-23(34)20(31)15(29)8-36-25)11-3-2-4-13(27)17(11)21(32)18(12)14(28)6-10/h2-6,9,15-16,19-20,22-31,33-35H,7-8H2,1H3/t9-,15+,16+,19-,20-,22+,23+,24+,25-,26+/m0/s1
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 800n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mi...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120490
PNG
(CHEMBL3617996)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
Show InChI InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mins by...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120493
PNG
(CHEMBL3617998)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1(O)c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
Show InChI InChI=1S/C27H32O14/c1-9-18(31)21(34)24(37)26(40-9)39-8-10-5-12-17(14(30)6-10)20(33)16-11(3-2-4-13(16)29)27(12,38)25-23(36)22(35)19(32)15(7-28)41-25/h2-6,9,15,18-19,21-26,28-32,34-38H,7-8H2,1H3/t9-,15+,18-,19+,21+,22-,23+,24+,25+,26+,27-/m0/s1
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 1.04E+4n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mins by...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120494
PNG
(CHEMBL3617999)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
Show InChI InChI=1S/C36H30O14/c37-10-13-6-16-24(21(41)8-13)31(46)25-15(28(16)43)4-5-18(29(25)44)36(35-34(49)33(48)30(45)23(12-39)50-35)17-2-1-3-20(40)26(17)32(47)27-19(36)7-14(11-38)9-22(27)42/h1-9,23,30,33-35,37-42,44-45,48-49H,10-12H2/t23-,30-,33+,34-,35-,36-/m1/s1
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 1.55E+4n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mi...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120492
PNG
(CHEMBL3617994)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
Show InChI InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1
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 2.78E+4n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mins by...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50085551
PNG
(1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...)
Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
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 5.22E+4n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mi...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50269016
PNG
(CHEMBL497001 | aloin)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
Show InChI InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1
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 5.73E+4n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mins by...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 11n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120494
PNG
(CHEMBL3617999)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
Show InChI InChI=1S/C36H30O14/c37-10-13-6-16-24(21(41)8-13)31(46)25-15(28(16)43)4-5-18(29(25)44)36(35-34(49)33(48)30(45)23(12-39)50-35)17-2-1-3-20(40)26(17)32(47)27-19(36)7-14(11-38)9-22(27)42/h1-9,23,30,33-35,37-42,44-45,48-49H,10-12H2/t23-,30-,33+,34-,35-,36-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120493
PNG
(CHEMBL3617998)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1(O)c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
Show InChI InChI=1S/C27H32O14/c1-9-18(31)21(34)24(37)26(40-9)39-8-10-5-12-17(14(30)6-10)20(33)16-11(3-2-4-13(16)29)27(12,38)25-23(36)22(35)19(32)15(7-28)41-25/h2-6,9,15,18-19,21-26,28-32,34-38H,7-8H2,1H3/t9-,15+,18-,19+,21+,22-,23+,24+,25+,26+,27-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120489
PNG
(CHEMBL3617997)
Show SMILES [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
Show InChI InChI=1S/C26H30O12/c1-9-19(30)22(33)24(35)26(38-9)37-7-10-5-12-16(25-23(34)20(31)15(29)8-36-25)11-3-2-4-13(27)17(11)21(32)18(12)14(28)6-10/h2-6,9,15-16,19-20,22-31,33-35H,7-8H2,1H3/t9-,15+,16+,19-,20-,22+,23+,24+,25-,26+/m0/s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120491
PNG
(CHEMBL3617995)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(C)cc12 |r|
Show InChI InChI=1S/C21H22O8/c1-8-5-10-14(21-20(28)19(27)17(25)13(7-22)29-21)9-3-2-4-11(23)15(9)18(26)16(10)12(24)6-8/h2-6,13-14,17,19-25,27-28H,7H2,1H3/t13-,14-,17-,19+,20-,21+/m1/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120490
PNG
(CHEMBL3617996)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc12 |r|
Show InChI InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
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n/an/a 2.02E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50085551
PNG
(1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...)
Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
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n/an/a 2.68E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50269016
PNG
(CHEMBL497001 | aloin)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
Show InChI InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1
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n/an/a 3.74E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50120492
PNG
(CHEMBL3617994)
Show SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
Show InChI InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.11E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...

Bioorg Med Chem 23: 6659-65 (2015)


Article DOI: 10.1016/j.bmc.2015.09.003
BindingDB Entry DOI: 10.7270/Q22F7Q8N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%