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Compile Data Set for Download or QSAR

Found 710 hits with Last Name = 'sparks' and Initial = 'sm'   
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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27730
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(4-methoxyphenyl)-2-...)
Show SMILES COc1ccc(cc1)-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
Show InChI InChI=1S/C32H39N3O6/c1-18-15-19(2)27(20(3)16-18)35-31(39)33-26-17-23(22-9-12-24(40-8)13-10-22)11-14-25(26)29(36)34-28(30(37)38)21(4)41-32(5,6)7/h9-17,21,28H,1-8H3,(H,34,36)(H,37,38)(H2,33,35,39)/t21-,28+/m1/s1
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n/an/a 3n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1803
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3w | 2-amino...)
Show SMILES Cc1cc(Br)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H11BrN2O2S/c1-9-5-10(15)7-11(6-9)20(18,19)14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27747
PNG
((2S,3R)-3-(tert-butoxy)-2-{[2-({[4-(cyclopropylmet...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)-c1cccc(F)c1)C(O)=O |r|
Show InChI InChI=1S/C34H40FN3O5/c1-19-14-23(16-22-10-11-22)15-20(2)29(19)38-33(42)36-28-18-25(24-8-7-9-26(35)17-24)12-13-27(28)31(39)37-30(32(40)41)21(3)43-34(4,5)6/h7-9,12-15,17-18,21-22,30H,10-11,16H2,1-6H3,(H,37,39)(H,40,41)(H2,36,38,42)/t21-,30+/m1/s1
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n/an/a 3n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27743
PNG
((2S,3R)-3-(tert-butoxy)-2-{[2-({[4-(cyclopropylmet...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(F)cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H36FN3O5/c1-15-11-19(13-18-7-8-18)12-16(2)23(15)32-27(36)30-22-14-20(29)9-10-21(22)25(33)31-24(26(34)35)17(3)37-28(4,5)6/h9-12,14,17-18,24H,7-8,13H2,1-6H3,(H,31,33)(H,34,35)(H2,30,32,36)/t17-,24+/m1/s1
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n/an/a 4n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27745
PNG
((2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-pr...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2ccc(OC)cc2)c(C)c1 |r|
Show InChI InChI=1S/C34H43N3O6/c1-9-10-23-17-20(2)29(21(3)18-23)37-33(41)35-28-19-25(24-11-14-26(42-8)15-12-24)13-16-27(28)31(38)36-30(32(39)40)22(4)43-34(5,6)7/h11-19,22,30H,9-10H2,1-8H3,(H,36,38)(H,39,40)(H2,35,37,41)/t22-,30+/m1/s1
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GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27746
PNG
((2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-pr...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2cccc(F)c2)c(C)c1 |r|
Show InChI InChI=1S/C33H40FN3O5/c1-8-10-22-15-19(2)28(20(3)16-22)37-32(41)35-27-18-24(23-11-9-12-25(34)17-23)13-14-26(27)30(38)36-29(31(39)40)21(4)42-33(5,6)7/h9,11-18,21,29H,8,10H2,1-7H3,(H,36,38)(H,39,40)(H2,35,37,41)/t21-,29+/m1/s1
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n/an/a 4n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1804
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3x | 2-amino...)
Show SMILES Cc1cc(Cl)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C14H11ClN2O2S/c1-9-5-10(15)7-11(6-9)20(18,19)14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256329
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclooctaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O4/c1-19-15-20(2)26(21(3)16-19)32-29(37)31-25-18-23-12-8-7-11-22(23)17-24(25)27(34)33-30(28(35)36)13-9-5-4-6-10-14-30/h7-8,11-12,15-18H,4-6,9-10,13-14H2,1-3H3,(H,33,34)(H,35,36)(H2,31,32,37)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50255975
PNG
((S)-2-cyclohexyl-2-(3-(3-(2,6-dichloro-4-(trifluor...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)C1CCCCC1 |r|
Show InChI InChI=1S/C27H24Cl2F3N3O5/c28-19-12-17(40-27(30,31)32)13-20(29)23(19)35-26(39)33-21-11-16-9-5-4-8-15(16)10-18(21)24(36)34-22(25(37)38)14-6-2-1-3-7-14/h4-5,8-14,22H,1-3,6-7H2,(H,34,36)(H,37,38)(H2,33,35,39)/t22-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50255977
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C29H33N3O4/c1-17-13-18(2)25(19(3)14-17)32-29(36)30-24-16-22-12-8-7-11-21(22)15-23(24)27(33)31-26(28(34)35)20-9-5-4-6-10-20/h7-8,11-16,20,26H,4-6,9-10H2,1-3H3,(H,31,33)(H,34,35)(H2,30,32,36)/t26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256669
PNG
((2S,3R)-2-(3-(3-mesitylureido)-2-naphthamido)-3-(1...)
Show SMILES C[C@@H](OC1(C)CCCC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C31H37N3O5/c1-18-14-19(2)26(20(3)15-18)34-30(38)32-25-17-23-11-7-6-10-22(23)16-24(25)28(35)33-27(29(36)37)21(4)39-31(5)12-8-9-13-31/h6-7,10-11,14-17,21,27H,8-9,12-13H2,1-5H3,(H,33,35)(H,36,37)(H2,32,34,38)/t21-,27+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418124
PNG
(CHEMBL1760428)
Show SMILES CCCCN(c1cccc(-c2ccc(cc2)C(F)(F)F)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H29ClF3NO5S/c1-5-6-16-33(39(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1802
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3v, 739W94 |...)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27734
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(4-fluorophenyl)-2-{...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccc(F)cc1)C(O)=O |r|
Show InChI InChI=1S/C31H36FN3O5/c1-17-14-18(2)26(19(3)15-17)35-30(39)33-25-16-22(21-8-11-23(32)12-9-21)10-13-24(25)28(36)34-27(29(37)38)20(4)40-31(5,6)7/h8-16,20,27H,1-7H3,(H,34,36)(H,37,38)(H2,33,35,39)/t20-,27+/m1/s1
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n/an/a 7n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27744
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(3,4-difluorophenyl)...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2ccc(F)c(F)c2)c(C)c1 |r|
Show InChI InChI=1S/C33H39F2N3O5/c1-8-9-21-14-18(2)28(19(3)15-21)38-32(42)36-27-17-23(22-11-13-25(34)26(35)16-22)10-12-24(27)30(39)37-29(31(40)41)20(4)43-33(5,6)7/h10-17,20,29H,8-9H2,1-7H3,(H,37,39)(H,40,41)(H2,36,38,42)/t20-,29+/m1/s1
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n/an/a 7n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27726
PNG
((2S,3R)-3-(tert-butoxy)-2-[(3-{[(2,4,6-trimethylph...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C29H35N3O5/c1-16-12-17(2)24(18(3)13-16)32-28(36)30-23-15-21-11-9-8-10-20(21)14-22(23)26(33)31-25(27(34)35)19(4)37-29(5,6)7/h8-15,19,25H,1-7H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,25+/m1/s1
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n/an/a 7n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27726
PNG
((2S,3R)-3-(tert-butoxy)-2-[(3-{[(2,4,6-trimethylph...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C29H35N3O5/c1-16-12-17(2)24(18(3)13-16)32-28(36)30-23-15-21-11-9-8-10-20(21)14-22(23)26(33)31-25(27(34)35)19(4)37-29(5,6)7/h8-15,19,25H,1-7H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,25+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 4


(Rattus norvegicus)
BDBM50044874
PNG
(CHEMBL3311302)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat FFA4 receptor expressed in U2OS cells


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Mus musculus)
BDBM50044874
PNG
(CHEMBL3311302)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse FFA4 receptor expressed in U2OS cells


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418148
PNG
(CHEMBL1760411)
Show SMILES CCCCN(c1cccc(c1Cl)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C27H29Cl2NO5S/c1-5-6-16-30(23-9-7-8-22(26(23)29)20-10-12-21(28)13-11-20)36(33,34)25-15-14-24(17(2)18(25)3)35-19(4)27(31)32/h7-15,19H,5-6,16H2,1-4H3,(H,31,32)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27731
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(3-methoxyphenyl)-2-...)
Show SMILES COc1cccc(c1)-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
Show InChI InChI=1S/C32H39N3O6/c1-18-14-19(2)27(20(3)15-18)35-31(39)33-26-17-23(22-10-9-11-24(16-22)40-8)12-13-25(26)29(36)34-28(30(37)38)21(4)41-32(5,6)7/h9-17,21,28H,1-8H3,(H,34,36)(H,37,38)(H2,33,35,39)/t21-,28+/m1/s1
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n/an/a 8n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256573
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methyl...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H33N3O4/c1-16(2)10-11-23(27(33)34)29-26(32)22-14-20-8-6-7-9-21(20)15-24(22)30-28(35)31-25-18(4)12-17(3)13-19(25)5/h6-9,12-16,23H,10-11H2,1-5H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27729
PNG
((2S,3R)-3-(tert-butoxy)-2-[(4-phenyl-2-{[(2,4,6-tr...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C31H37N3O5/c1-18-15-19(2)26(20(3)16-18)34-30(38)32-25-17-23(22-11-9-8-10-12-22)13-14-24(25)28(35)33-27(29(36)37)21(4)39-31(5,6)7/h8-17,21,27H,1-7H3,(H,33,35)(H,36,37)(H2,32,34,38)/t21-,27+/m1/s1
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n/an/a 10n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1805
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3y | 2-amino...)
Show SMILES COc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
Show InChI InChI=1S/C15H14N2O3S/c1-10-6-11(20-2)8-12(7-10)21(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
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GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27742
PNG
((2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-pr...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H36FN3O5/c1-8-9-18-12-15(2)22(16(3)13-18)31-26(35)29-21-14-19(28)10-11-20(21)24(32)30-23(25(33)34)17(4)36-27(5,6)7/h10-14,17,23H,8-9H2,1-7H3,(H,30,32)(H,33,34)(H2,29,31,35)/t17-,23+/m1/s1
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n/an/a 10n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256169
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C2CCCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27735
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(3,4-difluorophenyl)...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccc(F)c(F)c1)C(O)=O |r|
Show InChI InChI=1S/C31H35F2N3O5/c1-16-12-17(2)26(18(3)13-16)36-30(40)34-25-15-21(20-9-11-23(32)24(33)14-20)8-10-22(25)28(37)35-27(29(38)39)19(4)41-31(5,6)7/h8-15,19,27H,1-7H3,(H,35,37)(H,38,39)(H2,34,36,40)/t19-,27+/m1/s1
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n/an/a 13n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27740
PNG
((2S)-2-cyclohexyl-2-{[2-({[4-(cyclopropylmethyl)-2...)
Show SMILES Cc1cc(CC2CC2)cc(C)c1NC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C28H34FN3O4/c1-16-12-19(14-18-8-9-18)13-17(2)24(16)32-28(36)30-23-15-21(29)10-11-22(23)26(33)31-25(27(34)35)20-6-4-3-5-7-20/h10-13,15,18,20,25H,3-9,14H2,1-2H3,(H,31,33)(H,34,35)(H2,30,32,36)/t25-/m0/s1
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n/an/a 13n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256071
PNG
(2-(4,4-difluorocyclohexyl)-2-(3-(3-mesitylureido)-...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(F)(F)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31F2N3O4/c1-16-12-17(2)24(18(3)13-16)34-28(38)32-23-15-21-7-5-4-6-20(21)14-22(23)26(35)33-25(27(36)37)19-8-10-29(30,31)11-9-19/h4-7,12-15,19,25H,8-11H2,1-3H3,(H,33,35)(H,36,37)(H2,32,34,38)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418129
PNG
(CHEMBL1760268)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCC(O)=O)c(C)c1C
Show InChI InChI=1S/C27H30ClNO5S/c1-5-6-16-29(24-9-7-8-23(20(24)4)21-10-12-22(28)13-11-21)35(32,33)26-15-14-25(18(2)19(26)3)34-17-27(30)31/h7-15H,5-6,16-17H2,1-4H3,(H,30,31)
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GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256012
PNG
((S)-2-cyclopentyl-2-(3-(3-mesitylureido)-2-naphtha...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C28H31N3O4/c1-16-12-17(2)24(18(3)13-16)31-28(35)29-23-15-21-11-7-6-10-20(21)14-22(23)26(32)30-25(27(33)34)19-8-4-5-9-19/h6-7,10-15,19,25H,4-5,8-9H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t25-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256330
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclodecaneca...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C32H39N3O4/c1-21-17-22(2)28(23(3)18-21)34-31(39)33-27-20-25-14-10-9-13-24(25)19-26(27)29(36)35-32(30(37)38)15-11-7-5-4-6-8-12-16-32/h9-10,13-14,17-20H,4-8,11-12,15-16H2,1-3H3,(H,35,36)(H,37,38)(H2,33,34,39)
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27733
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(3-fluorophenyl)-2-{...)
Show SMILES C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1cccc(F)c1)C(O)=O |r|
Show InChI InChI=1S/C31H36FN3O5/c1-17-13-18(2)26(19(3)14-17)35-30(39)33-25-16-22(21-9-8-10-23(32)15-21)11-12-24(25)28(36)34-27(29(37)38)20(4)40-31(5,6)7/h8-16,20,27H,1-7H3,(H,34,36)(H,37,38)(H2,33,35,39)/t20-,27+/m1/s1
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n/an/a 15n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418123
PNG
(CHEMBL1760005)
Show SMILES CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H29ClF3NO6S/c1-5-6-16-33(40(36,37)25-15-14-24(17(2)18(25)3)38-19(4)27(34)35)23-9-7-8-22(26(23)29)20-10-12-21(13-11-20)39-28(30,31)32/h7-15,19H,5-6,16H2,1-4H3,(H,34,35)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256710
PNG
((2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-nap...)
Show SMILES C[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C32H33N3O5/c1-19-14-20(2)28(21(3)15-19)35-32(39)33-27-17-25-13-9-8-12-24(25)16-26(27)30(36)34-29(31(37)38)22(4)40-18-23-10-6-5-7-11-23/h5-17,22,29H,18H2,1-4H3,(H,34,36)(H,37,38)(H2,33,35,39)/t22-,29+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418135
PNG
(CHEMBL1760274)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(c1)C1CCCCC1
Show InChI InChI=1S/C32H38ClNO5S/c1-4-5-20-34(30-13-9-12-28(22(30)2)25-14-16-26(33)17-15-25)40(37,38)27-18-19-31(39-23(3)32(35)36)29(21-27)24-10-7-6-8-11-24/h9,12-19,21,23-24H,4-8,10-11,20H2,1-3H3,(H,35,36)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418161
PNG
(CHEMBL1760424)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C29H32F3NO5S/c1-6-7-17-33(39(36,37)27-16-15-26(18(2)19(27)3)38-21(5)28(34)35)25-10-8-9-24(20(25)4)22-11-13-23(14-12-22)29(30,31)32/h8-16,21H,6-7,17H2,1-5H3,(H,34,35)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256667
PNG
((2S,3R)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naph...)
Show SMILES CC(C)O[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H33N3O5/c1-15(2)36-19(6)25(27(33)34)30-26(32)22-13-20-9-7-8-10-21(20)14-23(22)29-28(35)31-24-17(4)11-16(3)12-18(24)5/h7-15,19,25H,1-6H3,(H,30,32)(H,33,34)(H2,29,31,35)/t19-,25+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256668
PNG
((2S,3R)-3-cyclobutoxy-2-(3-(3-mesitylureido)-2-nap...)
Show SMILES C[C@@H](OC1CCC1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C29H33N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(36)30-24-15-21-9-6-5-8-20(21)14-23(24)27(33)31-26(28(34)35)19(4)37-22-10-7-11-22/h5-6,8-9,12-15,19,22,26H,7,10-11H2,1-4H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,26+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27739
PNG
((2S)-2-cyclohexyl-2-[(2-{[(2,6-dimethyl-4-propylph...)
Show SMILES CCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H34FN3O4/c1-4-8-18-13-16(2)23(17(3)14-18)31-27(35)29-22-15-20(28)11-12-21(22)25(32)30-24(26(33)34)19-9-6-5-7-10-19/h11-15,19,24H,4-10H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t24-/m0/s1
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n/an/a 19n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50243599
PNG
((S)-2-cyclohexyl-2-(2-(3-(2,6-dichlorophenyl)ureid...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 |r|
Show InChI InChI=1S/C26H25Cl2N3O4/c27-19-11-6-12-20(28)23(19)31-26(35)29-21-14-17-10-5-4-9-16(17)13-18(21)24(32)30-22(25(33)34)15-7-2-1-3-8-15/h4-6,9-15,22H,1-3,7-8H2,(H,30,32)(H,33,34)(H2,29,31,35)/t22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256521
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)hexanoic ...)
Show SMILES CCCC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C27H31N3O4/c1-5-6-11-22(26(32)33)28-25(31)21-14-19-9-7-8-10-20(19)15-23(21)29-27(34)30-24-17(3)12-16(2)13-18(24)4/h7-10,12-15,22H,5-6,11H2,1-4H3,(H,28,31)(H,32,33)(H2,29,30,34)/t22-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256711
PNG
((2S,3R)-3-(benzyloxy)-2-(3-(3-mesitylureido)-2-nap...)
Show SMILES CC[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C33H35N3O5/c1-5-28(41-19-23-11-7-6-8-12-23)30(32(38)39)35-31(37)26-17-24-13-9-10-14-25(24)18-27(26)34-33(40)36-29-21(3)15-20(2)16-22(29)4/h6-18,28,30H,5,19H2,1-4H3,(H,35,37)(H,38,39)(H2,34,36,40)/t28-,30+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418149
PNG
(CHEMBL1760412)
Show SMILES CCCCN(c1cccc(-c2ccc(Cl)cc2)c1OC)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
Show InChI InChI=1S/C28H32ClNO6S/c1-6-7-17-30(24-10-8-9-23(27(24)35-5)21-11-13-22(29)14-12-21)37(33,34)26-16-15-25(18(2)19(26)3)36-20(4)28(31)32/h8-16,20H,6-7,17H2,1-5H3,(H,31,32)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50418134
PNG
(CHEMBL1760273)
Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(O[C@H](C)C(O)=O)c(C)c1C |r|
Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-17-30(25-10-8-9-24(20(25)4)22-11-13-23(29)14-12-22)36(33,34)27-16-15-26(18(2)19(27)3)35-21(5)28(31)32/h8-16,21H,6-7,17H2,1-5H3,(H,31,32)/t21-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay


Bioorg Med Chem Lett 21: 2345-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.077
BindingDB Entry DOI: 10.7270/Q2M61MHT
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256574
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5,5-dime...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)(C)C)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C29H35N3O4/c1-17-13-18(2)25(19(3)14-17)32-28(36)31-24-16-21-10-8-7-9-20(21)15-22(24)26(33)30-23(27(34)35)11-12-29(4,5)6/h7-10,13-16,23H,11-12H2,1-6H3,(H,30,33)(H,34,35)(H2,31,32,36)/t23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256393
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-1,2,3,4-tetr...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCc3ccccc3C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C32H31N3O4/c1-19-14-20(2)28(21(3)15-19)34-31(39)33-27-17-24-10-6-5-9-23(24)16-26(27)29(36)35-32(30(37)38)13-12-22-8-4-7-11-25(22)18-32/h4-11,14-17H,12-13,18H2,1-3H3,(H,35,36)(H,37,38)(H2,33,34,39)
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM27732
PNG
((2S,3R)-3-(tert-butoxy)-2-{[4-(2-methoxyphenyl)-2-...)
Show SMILES COc1ccccc1-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
Show InChI InChI=1S/C32H39N3O6/c1-18-15-19(2)27(20(3)16-18)35-31(39)33-25-17-22(23-11-9-10-12-26(23)40-8)13-14-24(25)29(36)34-28(30(37)38)21(4)41-32(5,6)7/h9-17,21,28H,1-8H3,(H,34,36)(H,37,38)(H2,33,35,39)/t21-,28+/m1/s1
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n/an/a 28n/an/an/an/a7.625



GSK



Assay Description
An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...


Bioorg Med Chem Lett 19: 1177-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.085
BindingDB Entry DOI: 10.7270/Q22805ZM
More data for this
Ligand-Target Pair
HIV-1 Reverse Transcriptase


(Human immunodeficiency virus type 1)
BDBM1778
PNG
(2-Amino-6-arylthiobenzonitrile deriv. 3ff | 2-amin...)
Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H12N2O2S/c18-11-15-16(19)6-3-7-17(15)22(20,21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,19H2
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 44: 1866-82 (2001)


BindingDB Entry DOI: 10.7270/Q2FJ2F09
More data for this
Ligand-Target Pair
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