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27 similar compounds to monomer 50256071

Compile data set for download or QSAR
Wt: 501.5
BDBM50256117
Wt: 501.5
BDBM50256118
Wt: 487.5
BDBM50256328
Wt: 501.6
BDBM50256329
Wt: 529.6
BDBM50256330
Wt: 487.5
BDBM50256331
Wt: 461.5
BDBM50256444
Wt: 475.5
BDBM50256573
Wt: 489.6
BDBM50256574
Wt: 461.5
BDBM50256521
Wt: 515.5
BDBM50256522
Wt: 475.5
BDBM50256523
Wt: 517.6
BDBM50256167
Wt: 501.6
BDBM50256169
Wt: 459.5
BDBM50256269
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50256117,50256118,50256328,50256329,50256330,50256331,50256444,50256573,50256574,50256521,50256522,50256523,50256167,50256169,50256269   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256117
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(4-oxocycl...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(=O)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(37)30-24-15-21-7-5-4-6-20(21)14-23(24)27(34)31-26(28(35)36)19-8-10-22(33)11-9-19/h4-7,12-15,19,26H,8-11H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)
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n/an/a 199n/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))
BDBM50256444
PNG
((2S,3S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-6-16(3)24(26(32)33)29-25(31)21-13-19-9-7-8-10-20(19)14-22(21)28-27(34)30-23-17(4)11-15(2)12-18(23)5/h7-14,16,24H,6H2,1-5H3,(H,29,31)(H,32,33)(H2,28,30,34)/t16-,24-/m0/s1
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n/an/a 72n/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))
BDBM50256167
PNG
((S)-2-((1s,4R)-4-(hydroxymethyl)cyclohexyl)-2-(3-(...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H]2CC[C@H](CO)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C30H35N3O5/c1-17-12-18(2)26(19(3)13-17)33-30(38)31-25-15-23-7-5-4-6-22(23)14-24(25)28(35)32-27(29(36)37)21-10-8-20(16-34)9-11-21/h4-7,12-15,20-21,27,34H,8-11,16H2,1-3H3,(H,32,35)(H,36,37)(H2,31,33,38)/t20-,21+,27-/m0/s1
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n/an/a 1.70E+4n/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))
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
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))
BDBM50256269
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclopentanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H29N3O4/c1-16-12-17(2)23(18(3)13-16)29-26(34)28-22-15-20-9-5-4-8-19(20)14-21(22)24(31)30-27(25(32)33)10-6-7-11-27/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)
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n/an/a 279n/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))
BDBM50256328
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cycloheptanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)
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n/an/a 36n/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))
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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n/an/a 5n/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))
BDBM50256331
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)-4-oxocyclohe...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCC(=O)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H29N3O5/c1-16-12-17(2)24(18(3)13-16)30-27(36)29-23-15-20-7-5-4-6-19(20)14-22(23)25(33)31-28(26(34)35)10-8-21(32)9-11-28/h4-7,12-15H,8-11H2,1-3H3,(H,31,33)(H,34,35)(H2,29,30,36)
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n/an/a 1.15E+3n/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))
BDBM50256117
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(4-oxocycl...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(=O)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(37)30-24-15-21-7-5-4-6-20(21)14-23(24)27(34)31-26(28(35)36)19-8-10-22(33)11-9-19/h4-7,12-15,19,26H,8-11H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


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))
BDBM50256118
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-2-((S)-3...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@H]2CCCC(=O)C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-11-17(2)25(18(3)12-16)32-29(37)30-24-15-20-8-5-4-7-19(20)14-23(24)27(34)31-26(28(35)36)21-9-6-10-22(33)13-21/h4-5,7-8,11-12,14-15,21,26H,6,9-10,13H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)/t21-,26-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


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))
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
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 350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


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))
BDBM50256269
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclopentanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H29N3O4/c1-16-12-17(2)23(18(3)13-16)29-26(34)28-22-15-20-9-5-4-8-19(20)14-21(22)24(31)30-27(25(32)33)10-6-7-11-27/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)
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n/an/a 1.77E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


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))
BDBM50256328
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cycloheptanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)
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n/an/a 585n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


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))
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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n/an/a 498n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


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 443n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256117
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-(4-oxocycl...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(C2CCC(=O)CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-12-17(2)25(18(3)13-16)32-29(37)30-24-15-21-7-5-4-6-20(21)14-23(24)27(34)31-26(28(35)36)19-8-10-22(33)11-9-19/h4-7,12-15,19,26H,8-11H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)
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n/an/a 9.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C9


(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
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 9.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256269
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclopentanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H29N3O4/c1-16-12-17(2)23(18(3)13-16)29-26(34)28-22-15-20-9-5-4-8-19(20)14-21(22)24(31)30-27(25(32)33)10-6-7-11-27/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)
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n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256328
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cycloheptanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CCCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)
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n/an/a 4.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C9


(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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n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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))
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
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 311n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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))
BDBM50256522
PNG
(6,6,6-trifluoro-2-(3-(3-mesitylureido)-2-naphthami...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(CCCC(F)(F)F)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H28F3N3O4/c1-15-11-16(2)23(17(3)12-15)33-26(37)32-22-14-19-8-5-4-7-18(19)13-20(22)24(34)31-21(25(35)36)9-6-10-27(28,29)30/h4-5,7-8,11-14,21H,6,9-10H2,1-3H3,(H,31,34)(H,35,36)(H2,32,33,37)
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n/an/a 123n/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))
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
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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n/an/a 452n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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))
BDBM50256444
PNG
((2S,3S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-6-16(3)24(26(32)33)29-25(31)21-13-19-9-7-8-10-20(19)14-22(21)28-27(34)30-23-17(4)11-15(2)12-18(23)5/h7-14,16,24H,6H2,1-5H3,(H,29,31)(H,32,33)(H2,28,30,34)/t16-,24-/m0/s1
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n/an/a 688n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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))
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
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 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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))
BDBM50256523
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)heptanoic aci...)
Show SMILES CCCCCC(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O4/c1-5-6-7-12-23(27(33)34)29-26(32)22-15-20-10-8-9-11-21(20)16-24(22)30-28(35)31-25-18(3)13-17(2)14-19(25)4/h8-11,13-16,23H,5-7,12H2,1-4H3,(H,29,32)(H,33,34)(H2,30,31,35)
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n/an/a 1.53E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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))
BDBM50256522
PNG
(6,6,6-trifluoro-2-(3-(3-mesitylureido)-2-naphthami...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC(CCCC(F)(F)F)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H28F3N3O4/c1-15-11-16(2)23(17(3)12-15)33-26(37)32-22-14-19-8-5-4-7-18(19)13-20(22)24(34)31-21(25(35)36)9-6-10-27(28,29)30/h4-5,7-8,11-14,21H,6,9-10H2,1-3H3,(H,31,34)(H,35,36)(H2,32,33,37)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis


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))
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
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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n/an/a 9n/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
Cytochrome P450 2C9


(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
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 450n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C9


(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
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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n/an/a 740n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256444
PNG
((2S,3S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-me...)
Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C27H31N3O4/c1-6-16(3)24(26(32)33)29-25(31)21-13-19-9-7-8-10-20(19)14-22(21)28-27(34)30-23-17(4)11-15(2)12-18(23)5/h7-14,16,24H,6H2,1-5H3,(H,29,31)(H,32,33)(H2,28,30,34)/t16-,24-/m0/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 2C9


(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
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 3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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))
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
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))
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
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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PubMed
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))
BDBM50256523
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)heptanoic aci...)
Show SMILES CCCCCC(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C28H33N3O4/c1-5-6-7-12-23(27(33)34)29-26(32)22-15-20-10-8-9-11-21(20)16-24(22)30-28(35)31-25-18(3)13-17(2)14-19(25)4/h8-11,13-16,23H,5-7,12H2,1-4H3,(H,29,32)(H,33,34)(H2,30,31,35)
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PubMed
n/an/a 114n/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))
BDBM50256118
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-2-((S)-3...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@H]2CCCC(=O)C2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H31N3O5/c1-16-11-17(2)25(18(3)12-16)32-29(37)30-24-15-20-8-5-4-7-19(20)14-23(24)27(34)31-26(28(35)36)21-9-6-10-22(33)13-21/h4-5,7-8,11-12,14-15,21,26H,6,9-10,13H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,37)/t21-,26-/m0/s1
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n/an/a 132n/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