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5 similar compounds to monomer 50304912

Compile data set for download or QSAR
Wt: 620.5
BDBM50096598
Wt: 620.5
BDBM50144451
Wt: 936.7
BDBM50144452
Wt: 444.5
BDBM50248615

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50096598,50144451,50144452,50248615   
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
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50096598
PNG
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/s2
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50144451
PNG
(CHEMBL307758 | Phosphoric acid mono-((2R,5R)-3-hyd...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23?,25?,29-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrogenase was determined


Bioorg Med Chem Lett 14: 2199-204 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.025
BindingDB Entry DOI: 10.7270/Q20K2810
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50144452
PNG
(Adenosine analogue | CHEMBL3559427 | CHEMBL71738)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H](C(O)C2O)[n+]2ccc(cc2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C40H42N8O15P2/c1-58-26-10-5-8-24(16-26)38(53)46-30-32(49)28(61-39(30)48-21-45-31-36(43-20-44-37(31)48)42-17-25-9-4-7-22-6-2-3-11-27(22)25)18-59-64(54,55)63-65(56,57)60-19-29-33(50)34(51)40(62-29)47-14-12-23(13-15-47)35(41)52/h2-16,20-21,28-30,32-34,39-40,49-51H,17-19H2,1H3,(H5-,41,42,43,44,46,52,53,54,55,56,57)/t28-,29-,30?,32?,33?,34?,39-,40-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrogenase was determined


Bioorg Med Chem Lett 14: 2199-204 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.025
BindingDB Entry DOI: 10.7270/Q20K2810
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal


(Trypanosoma cruzi)
BDBM50096598
PNG
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry


Bioorg Med Chem 17: 2476-82 (2009)


Article DOI: 10.1016/j.bmc.2009.01.079
BindingDB Entry DOI: 10.7270/Q2BC40FV
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248615
PNG
(CHEMBL4077627)
Show SMILES CCOCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C20H20N4O4S2/c1-2-27-8-7-22-19(26)14-6-4-12(10-23-14)28-20-15-13(17(29-20)18(21)25)5-3-11-9-24-30-16(11)15/h4,6,9-10H,2-3,5,7-8H2,1H3,(H2,21,25)(H,22,26)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50096598
PNG
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/s2
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50096598
PNG
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM50248615
PNG
(CHEMBL4077627)
Show SMILES CCOCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C20H20N4O4S2/c1-2-27-8-7-22-19(26)14-6-4-12(10-23-14)28-20-15-13(17(29-20)18(21)25)5-3-11-9-24-30-16(11)15/h4,6,9-10H,2-3,5,7-8H2,1H3,(H2,21,25)(H,22,26)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50248615
PNG
(CHEMBL4077627)
Show SMILES CCOCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C20H20N4O4S2/c1-2-27-8-7-22-19(26)14-6-4-12(10-23-14)28-20-15-13(17(29-20)18(21)25)5-3-11-9-24-30-16(11)15/h4,6,9-10H,2-3,5,7-8H2,1H3,(H2,21,25)(H,22,26)
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n/an/an/an/a 1.5n/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human SW620 cells assessed as decrease in STAT1 phosphorylation at Ser727 after 2 hrs by Western blot method


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50096598
PNG
(((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


Bioorg Med Chem Lett 11: 95-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00608-9
BindingDB Entry DOI: 10.7270/Q2F76D3N
More data for this
Ligand-Target Pair