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Compile Data Set for Download or QSAR

Found 665 hits from Chungnam National 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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50120491
PNG
(CHEMBL3617995)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cccc3[C@@H]([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1
Show InChI InChI=1/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+/s2
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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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133040
PNG
(CHEMBL3634700)
Show SMILES COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(OC)c(C(C)=O)c(O[C@H]3OC[C@@](O)(CO)[C@@H]3O)cc2c1
Show InChI InChI=1/C25H32O14/c1-10(28)16-13(38-24-22(32)25(33,8-27)9-36-24)5-11-4-12(34-2)6-14(17(11)21(16)35-3)37-23-20(31)19(30)18(29)15(7-26)39-23/h4-6,15,18-20,22-24,26-27,29-33H,7-9H2,1-3H3/t15-,18-,19+,20-,22-,23-,24-,25+/s2
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600n/an/an/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Reversible-uncompetitive inhibition of sEH (unknown origin) by Lineweaver-Burk plot


Bioorg Med Chem Lett 25: 5097-101 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.014
BindingDB Entry DOI: 10.7270/Q2M61N3V
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50120489
PNG
(CHEMBL3617997)
Show SMILES C[C@@H]1O[C@@H](OCc2cc(O)c3C(=O)c4c(O)cccc4[C@@H]([C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c3c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/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+/s2
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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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50120490
PNG
(CHEMBL3617996)
Show SMILES C[C@@H]1O[C@@H](OCc2cc(O)c3C(=O)c4c(O)cccc4[C@@H]([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/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+/s2
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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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50120493
PNG
(CHEMBL3617998)
Show SMILES C[C@@H]1O[C@@H](OCc2cc(O)c3C(=O)c4c(O)cccc4[C@@](O)([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/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-/s2
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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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50120494
PNG
(CHEMBL3617999)
Show SMILES OC[C@H]1O[C@H]([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
Show InChI InChI=1/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-/s2
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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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50120492
PNG
(CHEMBL3617994)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12
Show InChI InChI=1/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+/s2
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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
EBifunctional 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
EBifunctional 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
Show InChI InChI=1/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+/s2
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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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458125
PNG
(CHEMBL4217352)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
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n/an/a 1.20n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458125
PNG
(CHEMBL4217352)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
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n/an/a 1.30n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of ENPP2 in human A2058 cells using LPC as substrate preincubated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS...


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458132
PNG
(CHEMBL4205127)
Show SMILES OP(O)(=O)Cc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-19(6-8-25)24-20(26)16-3-1-14(2-4-16)13-32(28,29)30/h1-4,9-11,19H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
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n/an/a 1.40n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458135
PNG
(CHEMBL4214731)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccc(OC(F)(F)F)cc2F)cc1
Show InChI InChI=1S/C22H23F4N2O7P/c23-19-11-18(35-22(24,25)26)6-3-16(19)12-34-21(30)28-9-7-15(8-10-28)20(29)27-17-4-1-14(2-5-17)13-36(31,32)33/h1-6,11,15H,7-10,12-13H2,(H,27,29)(H2,31,32,33)
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n/an/a 1.70n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50187693
PNG
(CHEMBL3186509)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)
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n/an/a 1.70n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ATX beta expressed in HEK293 cells using LPC as substrate measured after 30 mins by LC-MS/MS analysis


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458131
PNG
(CHEMBL4212398)
Show SMILES OP(O)(=O)Cc1csc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)n1
Show InChI InChI=1S/C18H20Cl2N3O6PS/c19-13-5-11(6-14(20)7-13)8-29-18(25)23-3-1-12(2-4-23)16(24)22-17-21-15(10-31-17)9-30(26,27)28/h5-7,10,12H,1-4,8-9H2,(H,21,22,24)(H2,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458127
PNG
(CHEMBL4211269)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C21H24ClN2O6P/c22-18-3-1-2-16(12-18)13-30-21(26)24-10-8-17(9-11-24)20(25)23-19-6-4-15(5-7-19)14-31(27,28)29/h1-7,12,17H,8-11,13-14H2,(H,23,25)(H2,27,28,29)
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n/an/a 1.80n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458126
PNG
(CHEMBL4203076)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H24F3N2O7P/c23-22(24,25)34-19-7-3-15(4-8-19)13-33-21(29)27-11-9-17(10-12-27)20(28)26-18-5-1-16(2-6-18)14-35(30,31)32/h1-8,17H,9-14H2,(H,26,28)(H2,30,31,32)
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n/an/a 2n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50269714
PNG
(CHEMBL4092264)
Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H24Cl2N3O6PS/c25-18-9-16(10-19(26)11-18)12-35-24(31)29-7-5-20(6-8-29)27-22(30)23-28-21(14-37-23)17-3-1-15(2-4-17)13-36(32,33)34/h1-4,9-11,14,20H,5-8,12-13H2,(H,27,30)(H2,32,33,34)
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n/an/a 2.20n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458125
PNG
(CHEMBL4217352)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
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Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458135
PNG
(CHEMBL4214731)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccc(OC(F)(F)F)cc2F)cc1
Show InChI InChI=1S/C22H23F4N2O7P/c23-19-11-18(35-22(24,25)26)6-3-16(19)12-34-21(30)28-9-7-15(8-10-28)20(29)27-17-4-1-14(2-5-17)13-36(31,32)33/h1-6,11,15H,7-10,12-13H2,(H,27,29)(H2,31,32,33)
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Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50187693
PNG
(CHEMBL3186509)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)
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n/an/a 2.80n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ATX beta expressed in HEK293 cells using FS-3 as substrate pretreated for 15 mins followed by substrate addition meas...


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50269709
PNG
(CHEMBL4065817)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H24Cl2N4O5S2/c1-37(33,34)29-20-4-2-16(3-5-20)21-14-36-23(28-21)22(31)27-19-6-8-30(9-7-19)24(32)35-13-15-10-17(25)12-18(26)11-15/h2-5,10-12,14,19,29H,6-9,13H2,1H3,(H,27,31)
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n/an/a 3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458126
PNG
(CHEMBL4203076)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H24F3N2O7P/c23-22(24,25)34-19-7-3-15(4-8-19)13-33-21(29)27-11-9-17(10-12-27)20(28)26-18-5-1-16(2-6-18)14-35(30,31)32/h1-8,17H,9-14H2,(H,26,28)(H2,30,31,32)
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n/an/a 3.10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458136
PNG
(CHEMBL4216236)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccccc2Cl)cc1
Show InChI InChI=1S/C21H24ClN2O6P/c22-19-4-2-1-3-17(19)13-30-21(26)24-11-9-16(10-12-24)20(25)23-18-7-5-15(6-8-18)14-31(27,28)29/h1-8,16H,9-14H2,(H,23,25)(H2,27,28,29)
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Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458133
PNG
(CHEMBL4216825)
Show SMILES OP(O)(=O)Cc1csc(n1)C(=O)NC1CCN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H18Cl2N3O6PS/c18-11-3-10(4-12(19)5-11)7-28-17(24)22-2-1-13(6-22)20-15(23)16-21-14(9-30-16)8-29(25,26)27/h3-5,9,13H,1-2,6-8H2,(H,20,23)(H2,25,26,27)
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n/an/a 3.70n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50269724
PNG
(CHEMBL4087949)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H21Cl3N4O5S2/c24-15-7-13(8-16(25)10-15)11-35-23(32)30-5-3-17(4-6-30)28-21(31)22-29-19(12-36-22)14-1-2-18(26)20(9-14)37(27,33)34/h1-2,7-10,12,17H,3-6,11H2,(H,28,31)(H2,27,33,34)
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n/an/a 4.5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458124
PNG
(CHEMBL4208368)
Show SMILES NS(=O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C21H23Cl2N3O5S/c22-17-9-15(10-18(23)11-17)12-31-21(28)26-7-5-16(6-8-26)20(27)25-19-3-1-14(2-4-19)13-32(24,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,25,27)(H2,24,29,30)
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Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458132
PNG
(CHEMBL4205127)
Show SMILES OP(O)(=O)Cc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-19(6-8-25)24-20(26)16-3-1-14(2-4-16)13-32(28,29)30/h1-4,9-11,19H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
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Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458128
PNG
(CHEMBL4206899)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccccc2F)cc1
Show InChI InChI=1S/C21H24FN2O6P/c22-19-4-2-1-3-17(19)13-30-21(26)24-11-9-16(10-12-24)20(25)23-18-7-5-15(6-8-18)14-31(27,28)29/h1-8,16H,9-14H2,(H,23,25)(H2,27,28,29)
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Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458129
PNG
(CHEMBL4209155)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C21H25N2O6P/c24-20(22-19-8-6-17(7-9-19)15-30(26,27)28)18-10-12-23(13-11-18)21(25)29-14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,22,24)(H2,26,27,28)
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Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50196661
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid butyl...)
Show SMILES CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H48N2O3/c1-2-3-15-32-25(30)13-11-9-7-5-4-6-8-10-12-14-28-26(31)29-27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,2-21H2,1H3,(H2,28,29,31)
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n/an/a 7.80n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) using PHOME as substrate after 40 mins by fluorescence photometric method


Bioorg Med Chem Lett 27: 1874-1879 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.013
BindingDB Entry DOI: 10.7270/Q21838SF
More data for this
Ligand-Target Pair
EBifunctional 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
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 7.80n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using PHOME as substrate measured for 1 hr by fluorescence assay


J Nat Prod 80: 1867-1875 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458125
PNG
(CHEMBL4217352)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)
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n/an/a 7.90n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of ENPP2 in human SKHEP1 cells using LPC as substrate preincubated for 15 mins followed by substrate addition measured after 3 hrs by LC-M...


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458130
PNG
(CHEMBL4204027)
Show SMILES OC(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C22H22Cl2N2O5/c23-17-9-15(10-18(24)12-17)13-31-22(30)26-7-5-16(6-8-26)21(29)25-19-3-1-14(2-4-19)11-20(27)28/h1-4,9-10,12,16H,5-8,11,13H2,(H,25,29)(H,27,28)
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n/an/a 8.40n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458134
PNG
(CHEMBL4203499)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C20H22Cl2N4O5S/c21-15-9-13(10-16(22)11-15)12-31-20(28)26-7-5-14(6-8-26)19(27)24-17-1-3-18(4-2-17)25-32(23,29)30/h1-4,9-11,14,25H,5-8,12H2,(H,24,27)(H2,23,29,30)
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n/an/a 8.90n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50269725
PNG
(CHEMBL4064505)
Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(NC2CCN(C2)C(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C22H24N3O5PS/c26-22(30-13-16-4-2-1-3-5-16)25-11-10-19(12-25)23-21-24-20(15-32-21)18-8-6-17(7-9-18)14-31(27,28)29/h1-9,15,19H,10-14H2,(H,23,24)(H2,27,28,29)
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n/an/a 10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50117298
PNG
(CHEMBL3613597)
Show SMILES CC(C)c1nn(C)cc1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Show InChI InChI=1S/C23H27BrN8/c1-15(2)19-17(14-30(3)29-19)22-27-20-21(18(24)12-26-23(20)28-22)32-9-7-31(8-10-32)13-16-5-4-6-25-11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin)


Bioorg Med Chem Lett 25: 3947-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.037
BindingDB Entry DOI: 10.7270/Q2Z039ZQ
More data for this
Ligand-Target Pair
EBifunctional 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
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 10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method


Bioorg Med Chem Lett 24: 1895-900 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.014
BindingDB Entry DOI: 10.7270/Q22Z1722
More data for this
Ligand-Target Pair
EBifunctional 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
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 10n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of sEH (unknown origin) assessed as 6-methoxy-2-naphthaldehyde formation by fluorometry assay using 40 uM cyano-(6-methoxy-naphthalen-2-yl...


Bioorg Med Chem Lett 25: 5097-101 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.014
BindingDB Entry DOI: 10.7270/Q2M61N3V
More data for this
Ligand-Target Pair
EBifunctional 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
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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50173514
PNG
(CHEMBL3808508)
Show SMILES O=C(NCCCc1ccccc1)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1/C20H24N2O/c23-20(21-15-7-10-16-8-2-1-3-9-16)22-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,8-9,11,13,19H,6-7,10,12,14-15H2,(H2,21,22,23)/t19-/s2
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n/an/a 13n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using 14,15-EET as substrate incubated for 20 mins by LC-MS/MS analysis


Eur J Med Chem 117: 113-24 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.015
BindingDB Entry DOI: 10.7270/Q2S75J7T
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50173515
PNG
(CHEMBL3808557)
Show SMILES O=C(NCCCc1ccccc1)N[C@H]1CCCc2ccccc12
Show InChI InChI=1/C20H24N2O/c23-20(21-15-7-10-16-8-2-1-3-9-16)22-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,8-9,11,13,19H,6-7,10,12,14-15H2,(H2,21,22,23)/t19-/s2
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n/an/a 13n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using 14,15-EET as substrate incubated for 20 mins by LC-MS/MS analysis


Eur J Med Chem 117: 113-24 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.015
BindingDB Entry DOI: 10.7270/Q2S75J7T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50269726
PNG
(CHEMBL4099035)
Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H26N3O6PS/c28-22(23-26-21(16-35-23)19-8-6-18(7-9-19)15-34(30,31)32)25-20-10-12-27(13-11-20)24(29)33-14-17-4-2-1-3-5-17/h1-9,16,20H,10-15H2,(H,25,28)(H2,30,31,32)
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n/an/a 14n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50269714
PNG
(CHEMBL4092264)
Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H24Cl2N3O6PS/c25-18-9-16(10-19(26)11-18)12-35-24(31)29-7-5-20(6-8-29)27-22(30)23-28-21(14-37-23)17-3-1-15(2-4-17)13-36(32,33)34/h1-4,9-11,14,20H,5-8,12-13H2,(H,27,30)(H2,32,33,34)
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n/an/a 15n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of ATX in human plasma using LPC as substrate pretreated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS/MS analy...


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50269714
PNG
(CHEMBL4092264)
Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H24Cl2N3O6PS/c25-18-9-16(10-19(26)11-18)12-35-24(31)29-7-5-20(6-8-29)27-22(30)23-28-21(14-37-23)17-3-1-15(2-4-17)13-36(32,33)34/h1-4,9-11,14,20H,5-8,12-13H2,(H,27,30)(H2,32,33,34)
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n/an/a 15n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of ENPP2 in human plasma using LPC as substrate preincubated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS/MS a...


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458123
PNG
(CHEMBL4215710)
Show SMILES ONC(=O)c1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C21H21Cl2N3O5/c22-16-9-13(10-17(23)11-16)12-31-21(29)26-7-5-15(6-8-26)19(27)24-18-3-1-14(2-4-18)20(28)25-30/h1-4,9-11,15,30H,5-8,12H2,(H,24,27)(H,25,28)
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n/an/a 19n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50173509
PNG
(CHEMBL3808676)
Show SMILES C[C@H](NC(=O)NCCCc1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1/C18H23N3O3S/c1-14(16-7-3-2-4-8-16)21-18(22)20-13-5-6-15-9-11-17(12-10-15)25(19,23)24/h2-4,7-12,14H,5-6,13H2,1H3,(H2,19,23,24)(H2,20,21,22)/t14-/s2
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n/an/a 22n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using 14,15-EET as substrate incubated for 20 mins by LC-MS/MS analysis


Eur J Med Chem 117: 113-24 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.015
BindingDB Entry DOI: 10.7270/Q2S75J7T
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50173518
PNG
(CHEMBL3808731)
Show SMILES O=C(NCCCc1ccccc1)N[C@@H]1CCc2ccccc12
Show InChI InChI=1/C19H22N2O/c22-19(20-14-6-9-15-7-2-1-3-8-15)21-18-13-12-16-10-4-5-11-17(16)18/h1-5,7-8,10-11,18H,6,9,12-14H2,(H2,20,21,22)/t18-/s2
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n/an/a 22n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) using 14,15-EET as substrate incubated for 20 mins by LC-MS/MS analysis


Eur J Med Chem 117: 113-24 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.015
BindingDB Entry DOI: 10.7270/Q2S75J7T
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458131
PNG
(CHEMBL4212398)
Show SMILES OP(O)(=O)Cc1csc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)n1
Show InChI InChI=1S/C18H20Cl2N3O6PS/c19-13-5-11(6-14(20)7-13)8-29-18(25)23-3-1-12(2-4-23)16(24)22-17-21-15(10-31-17)9-30(26,27)28/h5-7,10,12H,1-4,8-9H2,(H,21,22,24)(H2,26,27,28)
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n/an/a 27n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay


Eur J Med Chem 148: 397-409 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50269708
PNG
(CHEMBL4083514)
Show SMILES COc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23Cl2N3O4S/c1-32-20-4-2-16(3-5-20)21-14-34-23(28-21)22(30)27-19-6-8-29(9-7-19)24(31)33-13-15-10-17(25)12-18(26)11-15/h2-5,10-12,14,19H,6-9,13H2,1H3,(H,27,30)
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n/an/a 30n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Bioorg Med Chem Lett 27: 4156-4164 (2017)

More data for this
Ligand-Target Pair
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