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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'kwon' and Initial = 'dy'   
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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321104
PNG
(CHEMBL1163804 | DFGYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C37H49N7O13/c1-19(2)31(36(55)40-20(3)32(51)42-25(37(56)57)13-14-29(47)48)44-35(54)27(16-22-9-11-23(45)12-10-22)41-28(46)18-39-34(53)26(15-21-7-5-4-6-8-21)43-33(52)24(38)17-30(49)50/h4-12,19-20,24-27,31,45H,13-18,38H2,1-3H3,(H,39,53)(H,40,55)(H,41,46)(H,42,51)(H,43,52)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t20-,24-,25-,26-,27-,31-/m0/s1
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51n/an/an/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Competitive inhibition of HMG-CoA reductase by Dixon plot analysis


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321100
PNG
(CHEMBL1164546 | GF(4-fluro)PTGG)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CN)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C24H33FN6O8/c1-13(32)21(23(38)28-11-19(34)27-12-20(35)36)30-22(37)17-3-2-8-31(17)24(39)16(29-18(33)10-26)9-14-4-6-15(25)7-5-14/h4-7,13,16-17,21,32H,2-3,8-12,26H2,1H3,(H,27,34)(H,28,38)(H,29,33)(H,30,37)(H,35,36)/t13-,16+,17+,21+/m1/s1
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260n/an/an/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Competitive inhibition of HMG-CoA reductase by Dixon plot analysis


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498799
PNG
(MANASSANTIN A | Manassantin A | Manassantin B1)
Show SMILES COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1O)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C41H50O11/c1-22-23(2)41(29-13-17-34(37(21-29)49-9)51-25(4)39(44)27-11-16-33(46-6)36(20-27)48-8)52-40(22)28-12-14-31(30(42)18-28)50-24(3)38(43)26-10-15-32(45-5)35(19-26)47-7/h10-25,38-44H,1-9H3/t22-,23-,24-,25-,38+,39+,40+,41+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 37n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258505
PNG
(CHEMBL468512 | N-(3-Cyano-5-fluoro-4-(methylsulfon...)
Show SMILES CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3cc(F)c(NS(C)(=O)=O)c(c3)C#N)ccc12
Show InChI InChI=1S/C26H32FN3O3S/c1-25(2)10-11-26(3,4)21-13-17(6-8-20(21)25)7-9-23(31)29-16-18-12-19(15-28)24(22(27)14-18)30-34(5,32)33/h6,8,12-14,30H,7,9-11,16H2,1-5H3,(H,29,31)
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n/an/a 57n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258476
PNG
(3-(4-tert-Butylphenyl)-N-(3-cyano-5-fluoro-4-(meth...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H26FN3O3S/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,28)29/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,27)
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n/an/a 85n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321104
PNG
(CHEMBL1163804 | DFGYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C37H49N7O13/c1-19(2)31(36(55)40-20(3)32(51)42-25(37(56)57)13-14-29(47)48)44-35(54)27(16-22-9-11-23(45)12-10-22)41-28(46)18-39-34(53)26(15-21-7-5-4-6-8-21)43-33(52)24(38)17-30(49)50/h4-12,19-20,24-27,31,45H,13-18,38H2,1-3H3,(H,39,53)(H,40,55)(H,41,46)(H,42,51)(H,43,52)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t20-,24-,25-,26-,27-,31-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258840
PNG
(3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-28(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)
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n/an/a 170n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258415
PNG
(CHEMBL493769 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc12
Show InChI InChI=1S/C25H33FN2O3S/c1-24(2)12-13-25(3,4)20-14-17(6-9-19(20)24)8-11-23(29)27-16-18-7-10-22(21(26)15-18)28-32(5,30)31/h6-7,9-10,14-15,28H,8,11-13,16H2,1-5H3,(H,27,29)
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n/an/a 180n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258314
PNG
(3-(3,5-Di-tert-butylphenyl)-N-(3-fluoro-4-(methyls...)
Show SMILES CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc(c1)C(C)(C)C
Show InChI InChI=1S/C25H35FN2O3S/c1-24(2,3)19-12-17(13-20(15-19)25(4,5)6)9-11-23(29)27-16-18-8-10-22(21(26)14-18)28-32(7,30)31/h8,10,12-15,28H,9,11,16H2,1-7H3,(H,27,29)
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n/an/a 200n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258504
PNG
(CHEMBL512461 | N-(3-Cyano-5-fluoro-4-(methylsulfon...)
Show SMILES CC1(CC1)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H24FN3O3S/c1-22(9-10-22)18-6-3-15(4-7-18)5-8-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(2,28)29/h3-4,6-7,11-12,26H,5,8-10,14H2,1-2H3,(H,25,27)
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n/an/a 210n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321109
PNG
(CHEMBL1163150 | EFGYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C38H51N7O13/c1-20(2)32(37(56)41-21(3)33(52)43-26(38(57)58)14-16-31(50)51)45-36(55)28(18-23-9-11-24(46)12-10-23)42-29(47)19-40-35(54)27(17-22-7-5-4-6-8-22)44-34(53)25(39)13-15-30(48)49/h4-12,20-21,25-28,32,46H,13-19,39H2,1-3H3,(H,40,54)(H,41,56)(H,42,47)(H,43,52)(H,44,53)(H,45,55)(H,48,49)(H,50,51)(H,57,58)/t21-,25-,26-,27-,28-,32-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321110
PNG
(CHEMBL1165024 | TFGYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C37H51N7O12/c1-19(2)31(36(54)40-20(3)32(50)42-25(37(55)56)14-15-29(48)49)44-34(52)27(17-23-10-12-24(46)13-11-23)41-28(47)18-39-33(51)26(16-22-8-6-5-7-9-22)43-35(53)30(38)21(4)45/h5-13,19-21,25-27,30-31,45-46H,14-18,38H2,1-4H3,(H,39,51)(H,40,54)(H,41,47)(H,42,50)(H,43,53)(H,44,52)(H,48,49)(H,55,56)/t20-,21+,25-,26-,27-,30-,31-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321105
PNG
(CHEMBL1163149 | GFGYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C35H47N7O11/c1-19(2)30(34(51)38-20(3)31(48)41-24(35(52)53)13-14-29(46)47)42-33(50)26(16-22-9-11-23(43)12-10-22)40-28(45)18-37-32(49)25(39-27(44)17-36)15-21-7-5-4-6-8-21/h4-12,19-20,24-26,30,43H,13-18,36H2,1-3H3,(H,37,49)(H,38,51)(H,39,44)(H,40,45)(H,41,48)(H,42,50)(H,46,47)(H,52,53)/t20-,24-,25-,26-,30-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258446
PNG
(3-(6-tert-Butylchroman-8-yl)-N-(3-fluoro-4-(methyl...)
Show SMILES CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2OCCCc2c1
Show InChI InChI=1S/C24H31FN2O4S/c1-24(2,3)19-13-17-6-5-11-31-23(17)18(14-19)8-10-22(28)26-15-16-7-9-21(20(25)12-16)27-32(4,29)30/h7,9,12-14,27H,5-6,8,10-11,15H2,1-4H3,(H,26,28)
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n/an/a 280n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498797
PNG
(CHEMBL3105545)
Show SMILES COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C32H40O8/c1-18-19(2)32(40-31(18)22-10-13-25(35-5)28(16-22)37-7)23-11-14-26(29(17-23)38-8)39-20(3)30(33)21-9-12-24(34-4)27(15-21)36-6/h9-20,30-33H,1-8H3/t18-,19-,20-,30+,31+,32+/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258414
PNG
((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(5,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc12
Show InChI InChI=1S/C25H31FN2O3S/c1-24(2)12-13-25(3,4)20-14-17(6-9-19(20)24)8-11-23(29)27-16-18-7-10-22(21(26)15-18)28-32(5,30)31/h6-11,14-15,28H,12-13,16H2,1-5H3,(H,27,29)/b11-8+
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n/an/a 340n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498805
PNG
(CHEMBL3623807)
Show SMILES COc1ccc(cc1OC)C(=O)COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OCC(=O)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C40H44O11/c1-23-24(2)40(28-12-16-34(38(20-28)48-8)50-22-30(42)26-10-14-32(44-4)36(18-26)46-6)51-39(23)27-11-15-33(37(19-27)47-7)49-21-29(41)25-9-13-31(43-3)35(17-25)45-5/h9-20,23-24,39-40H,21-22H2,1-8H3/t23-,24-,39+,40+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258270
PNG
(CHEMBL492800 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(CC3CC3)cc2)cc1F
Show InChI InChI=1S/C21H25FN2O3S/c1-28(26,27)24-20-10-8-18(13-19(20)22)14-23-21(25)11-9-15-2-4-16(5-3-15)12-17-6-7-17/h2-5,8,10,13,17,24H,6-7,9,11-12,14H2,1H3,(H,23,25)
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n/an/a 360n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498796
PNG
(CHEMBL3623808)
Show SMILES COc1ccc(cc1OC)[C@@H](O)COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C40H48O11/c1-23-24(2)40(28-12-16-34(38(20-28)48-8)50-22-30(42)26-10-14-32(44-4)36(18-26)46-6)51-39(23)27-11-15-33(37(19-27)47-7)49-21-29(41)25-9-13-31(43-3)35(17-25)45-5/h9-20,23-24,29-30,39-42H,21-22H2,1-8H3/t23-,24-,29+,30+,39+,40+/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258269
PNG
((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(4-...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)\C=C\c2ccc(CC3CC3)cc2)cc1F
Show InChI InChI=1S/C21H23FN2O3S/c1-28(26,27)24-20-10-8-18(13-19(20)22)14-23-21(25)11-9-15-2-4-16(5-3-15)12-17-6-7-17/h2-5,8-11,13,17,24H,6-7,12,14H2,1H3,(H,23,25)/b11-9+
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n/an/a 390n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321108
PNG
(CHEMBL1163723 | FGYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C33H44N6O10/c1-18(2)28(32(47)36-19(3)29(44)38-24(33(48)49)13-14-27(42)43)39-31(46)25(16-21-9-11-22(40)12-10-21)37-26(41)17-35-30(45)23(34)15-20-7-5-4-6-8-20/h4-12,18-19,23-25,28,40H,13-17,34H2,1-3H3,(H,35,45)(H,36,47)(H,37,41)(H,38,44)(H,39,46)(H,42,43)(H,48,49)/t19-,23-,24-,25-,28-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498801
PNG
(CHEMBL3623806)
Show SMILES CO[C@@H]([C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](OC)c2ccc(OC)c(OC)c2)c(OC)c1)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C44H56O11/c1-25-26(2)42(30-16-20-36(40(22-30)50-10)54-28(4)44(52-12)32-14-18-34(46-6)38(24-32)48-8)55-41(25)29-15-19-35(39(21-29)49-9)53-27(3)43(51-11)31-13-17-33(45-5)37(23-31)47-7/h13-28,41-44H,1-12H3/t25-,26-,27-,28-,41+,42+,43+,44+/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258839
PNG
((E)-3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsu...)
Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H25FN2O3S/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-28(4,26)27/h5-13,24H,14H2,1-4H3,(H,23,25)/b12-8+
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n/an/a 490n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498794
PNG
(CHEMBL3623812)
Show SMILES COc1cc(ccc1O[C@H](C)[C@H](O)c1ccccc1)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C38H44O7/c1-23-24(2)38(30-18-20-32(34(22-30)42-6)44-26(4)36(40)28-15-11-8-12-16-28)45-37(23)29-17-19-31(33(21-29)41-5)43-25(3)35(39)27-13-9-7-10-14-27/h7-26,35-40H,1-6H3/t23-,24-,25-,26-,35+,36+,37+,38+/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258841
PNG
(3-(4-sec-Butylphenyl)-N-(3-fluoro-4-(methylsulfona...)
Show SMILES CC(C)Cc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-15(2)12-17-6-4-16(5-7-17)9-11-21(25)23-14-18-8-10-20(19(22)13-18)24-28(3,26)27/h4-8,10,13,15,24H,9,11-12,14H2,1-3H3,(H,23,25)
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n/an/a 640n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498800
PNG
(CHEMBL3623811)
Show SMILES COc1cc(ccc1O[C@H](C)C(=O)c1ccccc1)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C38H40O7/c1-23-24(2)38(30-18-20-32(34(22-30)42-6)44-26(4)36(40)28-15-11-8-12-16-28)45-37(23)29-17-19-31(33(21-29)41-5)43-25(3)35(39)27-13-9-7-10-14-27/h7-26,37-38H,1-6H3/t23-,24-,25-,26-,37+,38+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50172598
PNG
(CHEMBL197781 | N-(4-[({4-tert-Butylbenzyl}aminocar...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O3S/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(25)23-13-15-7-10-18(17(21)11-15)24-28(4,26)27/h5-11,24H,12-13H2,1-4H3,(H2,22,23,25)
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n/an/a 710n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321103
PNG
(CHEMBL1165099 | GF(4-fluro)PEGG)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C25H33FN6O9/c26-15-5-3-14(4-6-15)10-17(30-19(33)11-27)25(41)32-9-1-2-18(32)24(40)31-16(7-8-21(35)36)23(39)29-12-20(34)28-13-22(37)38/h3-6,16-18H,1-2,7-13,27H2,(H,28,34)(H,29,39)(H,30,33)(H,31,40)(H,35,36)(H,37,38)/t16-,17-,18-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498804
PNG
(CHEMBL3623805)
Show SMILES COc1ccc(cc1OC)C(=O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C42H48O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,41-42H,1-10H3/t23-,24-,25-,26-,41+,42+/m1/s1
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n/an/a 910n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258445
PNG
((E)-3-(6-tert-Butylchroman-8-yl)-N-(3-fluoro-4-(me...)
Show SMILES CC(C)(C)c1cc2CCCOc2c(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H29FN2O4S/c1-24(2,3)19-13-17-6-5-11-31-23(17)18(14-19)8-10-22(28)26-15-16-7-9-21(20(25)12-16)27-32(4,29)30/h7-10,12-14,27H,5-6,11,15H2,1-4H3,(H,26,28)/b10-8+
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n/an/a 920n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258474
PNG
((E)-3-(2,2-Dimethylchroman-6-yl)-N-(3-fluoro-4-(me...)
Show SMILES CC1(C)CCc2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C22H25FN2O4S/c1-22(2)11-10-17-12-15(5-8-20(17)29-22)6-9-21(26)24-14-16-4-7-19(18(23)13-16)25-30(3,27)28/h4-9,12-13,25H,10-11,14H2,1-3H3,(H,24,26)/b9-6+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498803
PNG
(CHEMBL3623810)
Show SMILES COc1ccc(CCOc2ccc(cc2OC)[C@H]2O[C@@H]([C@H](C)[C@H]2C)c2ccc(OCCc3ccc(OC)c(OC)c3)c(OC)c2)cc1OC
Show InChI InChI=1S/C40H48O9/c1-25-26(2)40(30-12-16-34(38(24-30)46-8)48-20-18-28-10-14-32(42-4)36(22-28)44-6)49-39(25)29-11-15-33(37(23-29)45-7)47-19-17-27-9-13-31(41-3)35(21-27)43-5/h9-16,21-26,39-40H,17-20H2,1-8H3/t25-,26-,39+,40+/m1/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321107
PNG
(CHEMBL1165259 | FPYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C36H48N6O10/c1-20(2)30(34(49)38-21(3)31(46)39-26(36(51)52)15-16-29(44)45)41-32(47)27(19-23-11-13-24(43)14-12-23)40-33(48)28-10-7-17-42(28)35(50)25(37)18-22-8-5-4-6-9-22/h4-6,8-9,11-14,20-21,25-28,30,43H,7,10,15-19,37H2,1-3H3,(H,38,49)(H,39,46)(H,40,48)(H,41,47)(H,44,45)(H,51,52)/t21-,25-,26-,27-,28-,30-/m0/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226161
PNG
(CHEMBL261622 | GFPDGG)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C24H32N6O9/c25-11-18(31)28-16(9-14-5-2-1-3-6-14)24(39)30-8-4-7-17(30)23(38)29-15(10-20(33)34)22(37)27-12-19(32)26-13-21(35)36/h1-3,5-6,15-17H,4,7-13,25H2,(H,26,32)(H,27,37)(H,28,31)(H,29,38)(H,33,34)(H,35,36)/t15-,16-,17-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
BindingDB Entry DOI: 10.7270/Q28P61D2
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258416
PNG
((E)-3-(5-tert-Butyl-2,3-dihydrobenzofuran-7-yl)-N-...)
Show SMILES CC(C)(C)c1cc2CCOc2c(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C23H27FN2O4S/c1-23(2,3)18-12-16(22-17(13-18)9-10-30-22)6-8-21(27)25-14-15-5-7-20(19(24)11-15)26-31(4,28)29/h5-8,11-13,26H,9-10,14H2,1-4H3,(H,25,27)/b8-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50226161
PNG
(CHEMBL261622 | GFPDGG)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C24H32N6O9/c25-11-18(31)28-16(9-14-5-2-1-3-6-14)24(39)30-8-4-7-17(30)23(38)29-15(10-20(33)34)22(37)27-12-19(32)26-13-21(35)36/h1-3,5-6,15-17H,4,7-13,25H2,(H,26,32)(H,27,37)(H,28,31)(H,29,38)(H,33,34)(H,35,36)/t15-,16-,17-/m0/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226160
PNG
(CHEMBL261621 | GFPEGG)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C25H34N6O9/c26-12-19(32)29-17(11-15-5-2-1-3-6-15)25(40)31-10-4-7-18(31)24(39)30-16(8-9-21(34)35)23(38)28-13-20(33)27-14-22(36)37/h1-3,5-6,16-18H,4,7-14,26H2,(H,27,33)(H,28,38)(H,29,32)(H,30,39)(H,34,35)(H,36,37)/t16-,17-,18-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
BindingDB Entry DOI: 10.7270/Q28P61D2
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50226160
PNG
(CHEMBL261621 | GFPEGG)
Show SMILES NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C25H34N6O9/c26-12-19(32)29-17(11-15-5-2-1-3-6-15)25(40)31-10-4-7-18(31)24(39)30-16(8-9-21(34)35)23(38)28-13-20(33)27-14-22(36)37/h1-3,5-6,16-18H,4,7-14,26H2,(H,27,33)(H,28,38)(H,29,32)(H,30,39)(H,34,35)(H,36,37)/t16-,17-,18-/m0/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498795
PNG
(CHEMBL3623809)
Show SMILES CO[C@@H](COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC[C@H](OC)c2ccc(OC)c(OC)c2)c(OC)c1)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C42H52O11/c1-25-26(2)42(30-14-18-34(38(22-30)48-8)52-24-40(50-10)28-12-16-32(44-4)36(20-28)46-6)53-41(25)29-13-17-33(37(21-29)47-7)51-23-39(49-9)27-11-15-31(43-3)35(19-27)45-5/h11-22,25-26,39-42H,23-24H2,1-10H3/t25-,26-,39+,40+,41+,42+/m1/s1
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n/an/a 1.93E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498793
PNG
(CHEMBL3623803)
Show SMILES COc1ccc(cc1O)C(=O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccc(OC)c(O)c2)c(OC)c1
Show InChI InChI=1S/C40H44O11/c1-21-22(2)40(28-12-16-34(36(20-28)48-8)50-24(4)38(44)26-10-14-32(46-6)30(42)18-26)51-39(21)27-11-15-33(35(19-27)47-7)49-23(3)37(43)25-9-13-31(45-5)29(41)17-25/h9-24,39-42H,1-8H3/t21-,22-,23-,24-,39+,40+/m1/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258413
PNG
(3-(3,5-Bis(trifluoromethyl)phenyl)-N-(3-fluoro-4-(...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C19H17F7N2O3S/c1-32(30,31)28-16-4-2-12(8-15(16)20)10-27-17(29)5-3-11-6-13(18(21,22)23)9-14(7-11)19(24,25)26/h2,4,6-9,28H,3,5,10H2,1H3,(H,27,29)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321101
PNG
(CHEMBL1163145 | FFYVAE)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C40H50N6O10/c1-23(2)34(39(54)42-24(3)35(50)43-30(40(55)56)18-19-33(48)49)46-38(53)32(22-27-14-16-28(47)17-15-27)45-37(52)31(21-26-12-8-5-9-13-26)44-36(51)29(41)20-25-10-6-4-7-11-25/h4-17,23-24,29-32,34,47H,18-22,41H2,1-3H3,(H,42,54)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H,48,49)(H,55,56)/t24-,29-,30-,31-,32-,34-/m0/s1
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n/an/a 2.56E+3n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258803
PNG
(CHEMBL466622 | N-(4-tert-Butylbenzyl)-3-[3-fluoro-...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)CCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-21(2,3)17-9-5-16(6-10-17)14-23-20(25)12-8-15-7-11-19(18(22)13-15)24-28(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50498802
PNG
(CHEMBL3621232)
Show SMILES COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C32H38O8/c1-18-19(2)32(40-31(18)22-10-13-25(35-5)28(16-22)37-7)23-11-14-26(29(17-23)38-8)39-20(3)30(33)21-9-12-24(34-4)27(15-21)36-6/h9-20,31-32H,1-8H3/t18-,19-,20-,31+,32+/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay


J Med Chem 58: 7659-71 (2015)

More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Mesocricetus auratus)
BDBM50226166
PNG
(CHEMBL258583 | F(4-Fluoro)VAE | F(4-fluro)VAE)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H31FN4O7/c1-11(2)18(27-20(31)15(24)10-13-4-6-14(23)7-5-13)21(32)25-12(3)19(30)26-16(22(33)34)8-9-17(28)29/h4-7,11-12,15-16,18H,8-10,24H2,1-3H3,(H,25,32)(H,26,30)(H,27,31)(H,28,29)(H,33,34)/t12-,15-,16-,18-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Korea Food Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Syrian hamster HMGR


Bioorg Med Chem 16: 1309-18 (2008)


Article DOI: 10.1016/j.bmc.2007.10.064
BindingDB Entry DOI: 10.7270/Q28P61D2
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50226166
PNG
(CHEMBL258583 | F(4-Fluoro)VAE | F(4-fluro)VAE)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H31FN4O7/c1-11(2)18(27-20(31)15(24)10-13-4-6-14(23)7-5-13)21(32)25-12(3)19(30)26-16(22(33)34)8-9-17(28)29/h4-7,11-12,15-16,18H,8-10,24H2,1-3H3,(H,25,32)(H,26,30)(H,27,31)(H,28,29)(H,33,34)/t12-,15-,16-,18-/m0/s1
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n/an/a 3.84E+3n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258447
PNG
((E)-3-(2,2-Dimethyl-2,3-dihydrobenzofuran-5-yl)-N-...)
Show SMILES CC1(C)Cc2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C21H23FN2O4S/c1-21(2)12-16-10-14(5-8-19(16)28-21)6-9-20(25)23-13-15-4-7-18(17(22)11-15)24-29(3,26)27/h4-11,24H,12-13H2,1-3H3,(H,23,25)/b9-6+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258271
PNG
(CHEMBL492801 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(cc2)C(F)(F)F)cc1F
Show InChI InChI=1S/C18H18F4N2O3S/c1-28(26,27)24-16-8-4-13(10-15(16)19)11-23-17(25)9-5-12-2-6-14(7-3-12)18(20,21)22/h2-4,6-8,10,24H,5,9,11H2,1H3,(H,23,25)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50321100
PNG
(CHEMBL1164546 | GF(4-fluro)PTGG)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CN)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C24H33FN6O8/c1-13(32)21(23(38)28-11-19(34)27-12-20(35)36)30-22(37)17-3-2-8-31(17)24(39)16(29-18(33)10-26)9-14-4-6-15(25)7-5-14/h4-7,13,16-17,21,32H,2-3,8-12,26H2,1H3,(H,27,34)(H,28,38)(H,29,33)(H,30,37)(H,35,36)/t13-,16+,17+,21+/m1/s1
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n/an/a 4.82E+3n/an/an/an/an/an/a



Institute of the Chemistry of Plant Substances

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase by spectrophotometry


Bioorg Med Chem 18: 4300-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.090
BindingDB Entry DOI: 10.7270/Q2VM4CFG
More data for this
Ligand-Target Pair
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