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Compile Data Set for Download or QSAR

Found 493 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
Epoxide hydratase


(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=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
Epoxide hydratase


(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=1S/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+/m1/s1
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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
Epoxide hydratase


(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=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
Epoxide hydratase


(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=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
Epoxide hydratase


(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=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
Epoxide hydratase


(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=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
Epoxide hydratase


(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=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
Epoxide hydratase


(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
Epoxide hydratase


(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=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
Epoxide hydratase


(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
Epoxide hydratase


(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
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
Epoxide hydratase


(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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173515
PNG
(CHEMBL3808557)
Show SMILES O=C(NCCCc1ccccc1)N[C@H]1CCCc2ccccc12
Show InChI InChI=1S/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-/m0/s1
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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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173514
PNG
(CHEMBL3808508)
Show SMILES O=C(NCCCc1ccccc1)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/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-/m1/s1
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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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173518
PNG
(CHEMBL3808731)
Show SMILES O=C(NCCCc1ccccc1)N[C@@H]1CCc2ccccc12
Show InChI InChI=1S/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-/m1/s1
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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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173509
PNG
(CHEMBL3808676)
Show SMILES C[C@H](NC(=O)NCCCc1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/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-/m0/s1
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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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173523
PNG
(CHEMBL3809434)
Show SMILES CC[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-2-18(17-13-7-4-8-14-17)21-19(22)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H2,20,21,22)/t18-/m0/s1
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n/an/a 36n/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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50203126
PNG
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 40n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173521
PNG
(CHEMBL3809056)
Show SMILES C[C@H](NC(=O)NCCCc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-17(20-15-7-13-19-12-5-6-14-21(19)20)24-22(25)23-16-8-11-18-9-3-2-4-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H2,23,24,25)/t17-/m0/s1
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n/an/a 43n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173529
PNG
(CHEMBL3809736)
Show SMILES C[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-15(17-12-6-3-7-13-17)20-18(21)19-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H2,19,20,21)/t15-/m0/s1
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n/an/a 44n/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
Epoxide hydratase


(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 59n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173511
PNG
(CHEMBL3810377)
Show SMILES CC[C@H](C)NC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C14H22N2O/c1-3-12(2)16-14(17)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,15,16,17)/t12-/m0/s1
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n/an/a 63n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173519
PNG
(CHEMBL3809780)
Show SMILES O=C(NCCCc1ccccc1)N[C@H]1CCc2ccccc12
Show InChI InChI=1S/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-/m0/s1
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n/an/a 65n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173525
PNG
(CHEMBL3809228)
Show SMILES C[C@H](NC(=O)NCCCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C18H28N2O/c1-15(17-12-6-3-7-13-17)20-18(21)19-14-8-11-16-9-4-2-5-10-16/h2,4-5,9-10,15,17H,3,6-8,11-14H2,1H3,(H2,19,20,21)/t15-/m0/s1
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n/an/a 182n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173524
PNG
(CHEMBL3808903)
Show SMILES C[C@@H](NC(=O)NCCCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C18H28N2O/c1-15(17-12-6-3-7-13-17)20-18(21)19-14-8-11-16-9-4-2-5-10-16/h2,4-5,9-10,15,17H,3,6-8,11-14H2,1H3,(H2,19,20,21)/t15-/m1/s1
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n/an/a 302n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173513
PNG
(CHEMBL3810131)
Show SMILES O=C(NCCCc1ccccc1)N1CCC[C@H]1c1ccccc1
Show InChI InChI=1S/C20H24N2O/c23-20(21-15-7-11-17-9-3-1-4-10-17)22-16-8-14-19(22)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23)/t19-/m0/s1
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n/an/a 332n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173520
PNG
(CHEMBL3809988)
Show SMILES C[C@@H](NC(=O)NCCCc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-17(20-15-7-13-19-12-5-6-14-21(19)20)24-22(25)23-16-8-11-18-9-3-2-4-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H2,23,24,25)/t17-/m1/s1
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n/an/a 364n/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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50356166
PNG
(CHEMBL1088657)
Show SMILES Cc1cccc(NC(N)=S)c1
Show InChI InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 600n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173510
PNG
(CHEMBL3808397)
Show SMILES CCC(C)NC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C14H22N2O/c1-3-12(2)16-14(17)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,15,16,17)
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n/an/a 650n/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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50356164
PNG
(CHEMBL1088361)
Show SMILES CCc1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C9H12N2S/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
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n/an/a 800n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50356167
PNG
(CHEMBL1088658)
Show SMILES Cc1ccccc1NC(N)=S
Show InChI InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 840n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of interleukin-5 in mouse Y16 cells


Bioorg Med Chem 18: 4625-9 (2011)


Article DOI: 10.1016/j.bmc.2010.05.028
BindingDB Entry DOI: 10.7270/Q2B8593F
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay


Bioorg Med Chem 18: 4441-5 (2010)


Article DOI: 10.1016/j.bmc.2010.04.075
BindingDB Entry DOI: 10.7270/Q2H41SDX
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50356163
PNG
(CHEMBL1088360)
Show SMILES Cc1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50206384
PNG
(CHEMBL3917629)
Show SMILES Cc1cc(\C=C\c2cc3ccc(O)cc3nc2Cl)cc(C)c1O
Show InChI InChI=1S/C19H16ClNO2/c1-11-7-13(8-12(2)18(11)23)3-4-15-9-14-5-6-16(22)10-17(14)21-19(15)20/h3-10,22-23H,1-2H3/b4-3+
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n/an/a 1.49E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50240041
PNG
(1-phenyl-2-thiourea | 1-phenylthiourea | CHEMBL263...)
Show SMILES NC(=S)Nc1ccccc1
Show InChI InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173512
PNG
(CHEMBL3809679)
Show SMILES O=C(NCCCc1ccccc1)N1CCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C20H24N2O/c23-20(21-15-7-11-17-9-3-1-4-10-17)22-16-8-14-19(22)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23)/t19-/m1/s1
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n/an/a 1.51E+3n/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
Transthyretin


(Homo sapiens (Human))
BDBM50197883
PNG
(CHEBI:78538 | FX-1006 | TAFAMIDIS | Tafamidis | Vy...)
Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50356165
PNG
(CHEMBL1088498)
Show SMILES CC(C)(C)c1ccc(NC(N)=S)cc1
Show InChI InChI=1S/C11H16N2S/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis


Bioorg Med Chem Lett 21: 6824-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.024
BindingDB Entry DOI: 10.7270/Q2M9093C
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173528
PNG
(CHEMBL3809673)
Show SMILES C[C@@H](NC(=O)NCCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-15(17-12-6-3-7-13-17)20-18(21)19-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H2,19,20,21)/t15-/m1/s1
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n/an/a 1.73E+3n/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
Tyrosinase


(Homo sapiens (Human))
BDBM50240041
PNG
(1-phenyl-2-thiourea | 1-phenylthiourea | CHEMBL263...)
Show SMILES NC(=S)Nc1ccccc1
Show InChI InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase


Bioorg Med Chem 18: 1555-62 (2010)


Article DOI: 10.1016/j.bmc.2010.01.005
BindingDB Entry DOI: 10.7270/Q23F4PQ7
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50206387
PNG
(CHEMBL3898378)
Show SMILES Cc1cc(cc(C)c1O)C#Cc1ccc2cc(N)ccc2n1
Show InChI InChI=1S/C19H16N2O/c1-12-9-14(10-13(2)19(12)22)3-6-17-7-4-15-11-16(20)5-8-18(15)21-17/h4-5,7-11,22H,20H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173508
PNG
(CHEMBL3808618)
Show SMILES C[C@@H](NC(=O)NCCCc1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/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-/m1/s1
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n/an/a 2.03E+3n/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
Transthyretin


(Homo sapiens (Human))
BDBM50206385
PNG
(CHEMBL3976323)
Show SMILES Cc1cc(cc(C)c1O)C#Cc1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C19H14N2O3/c1-12-9-14(10-13(2)19(12)22)3-5-16-6-4-15-11-17(21(23)24)7-8-18(15)20-16/h4,6-11,22H,1-2H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM50206388
PNG
(CHEMBL3899454)
Show SMILES Cc1cc(cc(C)c1O)C#Cc1ccc2ccccc2n1
Show InChI InChI=1S/C19H15NO/c1-13-11-15(12-14(2)19(13)21)7-9-17-10-8-16-5-3-4-6-18(16)20-17/h3-6,8,10-12,21H,1-2H3
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n/an/a 2.18E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
Epoxide hydratase


(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=1S/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+/m1/s1
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n/an/a 2.20E+3n/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
Transthyretin


(Homo sapiens (Human))
BDBM50206386
PNG
(CHEMBL3987064)
Show SMILES Cc1cc(cc(C)c1O)C#Cc1ccc2cc(O)ccc2n1
Show InChI InChI=1S/C19H15NO2/c1-12-9-14(10-13(2)19(12)22)3-5-16-6-4-15-11-17(21)7-8-18(15)20-16/h4,6-11,21-22H,1-2H3
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n/an/a 2.59E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with ...


Eur J Med Chem 123: 777-787 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.003
BindingDB Entry DOI: 10.7270/Q29Z96WM
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173526
PNG
(CHEMBL3808430)
Show SMILES OC[C@H](NC(=O)NCCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H22N2O2/c21-14-17(16-11-5-2-6-12-16)20-18(22)19-13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,17,21H,7,10,13-14H2,(H2,19,20,22)/t17-/m0/s1
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n/an/a 2.74E+3n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50173575
PNG
(CHEMBL3809395)
Show SMILES O=C(NCCCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C17H20N2O/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H2,18,19,20)
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n/an/a 3.26E+3n/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
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