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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'minh' and Initial = 'cv'   
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))
BDBM50558211
PNG
(CHEMBL2332114)
Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2OC)-c2oc3cc(OC)cc(O)c3c(=O)c2OC)OC[C@](O)(CO)[C@H]1O |r|
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1.82E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non competitive inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558212
PNG
(3-O-Galloylquercetin | CHEMBL1935379)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC(=O)c1cc(O)c(O)c(O)c1)c2=O
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2.15E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non competitive inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558210
PNG
(CHEMBL4798780)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2=O |r|
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2.46E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50379283
PNG
(CHEMBL234316)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-25,27-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
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2.97E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558209
PNG
(CHEMBL4761282)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |r|
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3.71E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50056315
PNG
(CHEBI:17558 | Quercitrin)
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
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3.96E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non competitive inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558213
PNG
(CHEMBL4747916)
Show SMILES Oc1cc(cc(O)c1O)[C@@H]1CCc2c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)cc2O1 |r|
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4.55E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed type inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional 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 |TLB:21:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
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 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558213
PNG
(CHEMBL4747916)
Show SMILES Oc1cc(cc(O)c1O)[C@@H]1CCc2c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)cc2O1 |r|
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558212
PNG
(3-O-Galloylquercetin | CHEMBL1935379)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC(=O)c1cc(O)c(O)c(O)c1)c2=O
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n/an/a 1.15E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50056315
PNG
(CHEBI:17558 | Quercitrin)
Show SMILES C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558211
PNG
(CHEMBL2332114)
Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(cc2OC)-c2oc3cc(OC)cc(O)c3c(=O)c2OC)OC[C@](O)(CO)[C@H]1O |r|
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558209
PNG
(CHEMBL4761282)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |r|
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n/an/a 1.75E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50558210
PNG
(CHEMBL4798780)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c1)c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2=O |r|
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n/an/a 1.98E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50379283
PNG
(CHEMBL234316)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-25,27-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
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n/an/a 3.01E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by f...


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.034
BindingDB Entry DOI: 10.7270/Q2833WP0
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447860
PNG
(CHEMBL3114757)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@@H](Oc4cc(O)ccc34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29+/m1/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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n/an/a 3.10E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447857
PNG
(Aescultitannin B)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@@H](Oc4c3c(O)cc3O[C@@]5(Oc6cc(O)cc(O)c6[C@@H]([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r,TLB:15:35:33:23.31.24,THB:19:20:33:23.31.24|
Show InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41+,44-,45+/m1/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447858
PNG
(CHEBI:75630 | CHEMBL501490)
Show SMILES O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1
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n/an/a 4.30E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447859
PNG
(CHEMBL3114756)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)ccc34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H26O10/c31-15-4-1-13(2-5-15)29-27(38)25(17-7-6-16(32)10-24(17)39-29)26-22(36)12-20(34)18-11-23(37)28(40-30(18)26)14-3-8-19(33)21(35)9-14/h1-10,12,23,25,27-29,31-38H,11H2/t23-,25-,27-,28-,29-/m1/s1
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n/an/a 4.80E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447856
PNG
(CHEMBL3114755)
Show SMILES O[C@H]1Cc2c(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C30H26O11/c31-14-3-4-15-23(9-14)41-30(13-2-6-18(33)20(35)8-13)28(39)25(15)26-21(36)11-24-16(27(26)38)10-22(37)29(40-24)12-1-5-17(32)19(34)7-12/h1-9,11,22,25,28-39H,10H2/t22-,25-,28-,29+,30+/m0/s1
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n/an/a 5.20E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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n/an/a 6.50E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447854
PNG
(CHEMBL3114753 | CHEMBL3114754)
Show SMILES CC(CC=C1C(C)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,w:3.2,c:6|
Show InChI InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h6-7,11,14-18,20,22-24H,5,8-9H2,1-4H3/t11?,14-,15-,16+,17-,18-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447853
PNG
(CHEMBL1808110)
Show SMILES C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@H]1C(C)=CC(=O)CC1(C)C |r,c:19|
Show InChI InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13-,14+,15+,16-,17+,18+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447852
PNG
(CHEMBL3114752)
Show SMILES C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\[C@H]1C(C)=CC(=O)CC1(C)C |r,c:19|
Show InChI InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11-,13+,14-,15-,16+,17-,18-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447861
PNG
(CHEMBL3114759)
Show SMILES CC1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@H](O)C(C)(C)CC[C@@]3(CC[C@@]12C)C(O)=O |r,t:3,18|
Show InChI InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)19(22(30)23(25)32)8-9-21-28(27,6)11-10-20-26(3,4)16-18(17-31)29(20,21)7/h8,16-17,20-23,32H,9-15H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,27+,28+,29-,30-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447862
PNG
(CHEMBL3114760)
Show SMILES C[C@@]12[C@@H](O)C=C[C@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C |r,c:4|
Show InChI InChI=1S/C22H36O2/c1-19(2)15-10-13-21(4)16(20(15,3)12-11-17(19)23)8-6-14-7-9-18(24)22(14,21)5/h7,9,14-18,23-24H,6,8,10-13H2,1-5H3/t14-,15+,16-,17+,18+,20+,21-,22+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50447854
PNG
(CHEMBL3114753 | CHEMBL3114754)
Show SMILES CC(CC=C1C(C)=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,w:3.2,c:6|
Show InChI InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h6-7,11,14-18,20,22-24H,5,8-9H2,1-4H3/t11?,14-,15-,16+,17-,18-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...


Bioorg Med Chem Lett 24: 1192-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.098
BindingDB Entry DOI: 10.7270/Q2TM7CMJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50379791
PNG
(METHYLEUGENOL | Methyl eugenol (1))
Show SMILES COc1ccc(CC=C)cc1OC
Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
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n/an/an/an/a 4.00E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50379792
PNG
(CHEMBL2011538)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C21H22O7/c1-23-17-6-12(7-18(24-2)19(17)22)21-14-9-25-20(13(14)8-26-21)11-3-4-15-16(5-11)28-10-27-15/h3-7,13-14,20-22H,8-10H2,1-2H3/t13-,14-,20-,21+/m0/s1
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n/an/an/an/a>6.00E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50379793
PNG
(PLUVIATILOL)
Show SMILES COc1cc(ccc1O)[C@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19-,20+/m1/s1
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n/an/an/an/a>6.00E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50379794
PNG
(PINORESINOL)
Show SMILES COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1
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n/an/an/an/a>6.00E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50379795
PNG
(CHEMBL2011541)
Show SMILES CC(C)(O)C1=C[C@@H](O)[C@@](C)(O)CC1 |r,t:4|
Show InChI InChI=1S/C10H18O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h6,8,11-13H,4-5H2,1-3H3/t8-,10+/m1/s1
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n/an/an/an/a 1.95E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50379791
PNG
(METHYLEUGENOL | Methyl eugenol (1))
Show SMILES COc1ccc(CC=C)cc1OC
Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
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n/an/an/an/a 4.65E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50379796
PNG
(CHEMBL2011543)
Show SMILES COc1ccc(cc1OC)[C@@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C11H16O5/c1-15-9-4-3-7(5-10(9)16-2)11(14)8(13)6-12/h3-5,8,11-14H,6H2,1-2H3/t8-,11-/m1/s1
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n/an/an/an/a 1.57E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50379797
PNG
(CHEMBL2011544)
Show SMILES C\C=C/CC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)/b5-4-,9-8+,11-10+
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n/an/an/an/a 4.00E+3n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50371235
PNG
(CIPROFIBRATE)
Show SMILES CC(C)(Oc1ccc(cc1)C1CC1(Cl)Cl)C(O)=O
Show InChI InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
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n/an/an/an/a 900n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50379792
PNG
(CHEMBL2011538)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C21H22O7/c1-23-17-6-12(7-18(24-2)19(17)22)21-14-9-25-20(13(14)8-26-21)11-3-4-15-16(5-11)28-10-27-15/h3-7,13-14,20-22H,8-10H2,1-2H3/t13-,14-,20-,21+/m0/s1
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n/an/an/an/a 2.26E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50379793
PNG
(PLUVIATILOL)
Show SMILES COc1cc(ccc1O)[C@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19-,20+/m1/s1
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n/an/an/an/a 4.87E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50379794
PNG
(PINORESINOL)
Show SMILES COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1
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n/an/an/an/a 5.86E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50379798
PNG
(PIPERITOL)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m1/s1
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n/an/an/an/a 1.89E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50379798
PNG
(PIPERITOL)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m1/s1
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n/an/an/an/a 5.32E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50379795
PNG
(CHEMBL2011541)
Show SMILES CC(C)(O)C1=C[C@@H](O)[C@@](C)(O)CC1 |r,t:4|
Show InChI InChI=1S/C10H18O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h6,8,11-13H,4-5H2,1-3H3/t8-,10+/m1/s1
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n/an/an/an/a 2.17E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50379796
PNG
(CHEMBL2011543)
Show SMILES COc1ccc(cc1OC)[C@@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C11H16O5/c1-15-9-4-3-7(5-10(9)16-2)11(14)8(13)6-12/h3-5,8,11-14H,6H2,1-2H3/t8-,11-/m1/s1
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n/an/an/an/a 1.93E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50379797
PNG
(CHEMBL2011544)
Show SMILES C\C=C/CC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)/b5-4-,9-8+,11-10+
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n/an/an/an/a 3.60E+3n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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n/an/an/an/a 730n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50379792
PNG
(CHEMBL2011538)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C21H22O7/c1-23-17-6-12(7-18(24-2)19(17)22)21-14-9-25-20(13(14)8-26-21)11-3-4-15-16(5-11)28-10-27-15/h3-7,13-14,20-22H,8-10H2,1-2H3/t13-,14-,20-,21+/m0/s1
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n/an/an/an/a 4.76E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50379793
PNG
(PLUVIATILOL)
Show SMILES COc1cc(ccc1O)[C@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19-,20+/m1/s1
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n/an/an/an/a 5.31E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50379794
PNG
(PINORESINOL)
Show SMILES COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1
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n/an/an/an/a 4.95E+4n/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs by luminescence assay


Bioorg Med Chem Lett 22: 2527-33 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.136
BindingDB Entry DOI: 10.7270/Q2P55PHF
More data for this
Ligand-Target Pair
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