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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'de marchi' and Initial = 'aa'   
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
Glyceraldehyde-3-phosphate dehydrogenase


(Homo sapiens (Human))
BDBM50144452
PNG
(Adenosine analogue | CHEMBL3559427)
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)/p-1/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


(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


(Homo sapiens (Human))
BDBM50144455
PNG
(CHEMBL71742 | N-((2R,5R)-4-Hydroxy-5-hydroxymethyl...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12
Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(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/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23?,25?,29-/m1/s1
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n/an/a 1.20E+4n/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


(Homo sapiens (Human))
BDBM50404359
PNG
(CHEMBL67818)
Show SMILES CC(=O)Oc1cccc(c1)-c1cc2cc(OC(C)=O)ccc2oc1=O
Show InChI InChI=1S/C19H14O6/c1-11(20)23-15-5-3-4-13(8-15)17-10-14-9-16(24-12(2)21)6-7-18(14)25-19(17)22/h3-10H,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50198762
PNG
(4-(6,7-diacetoxy-2-oxo-2H-chromen-3-yl)-1,2-phenyl...)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2cc(OC(C)=O)c(OC(C)=O)cc2oc1=O
Show InChI InChI=1S/C23H18O10/c1-11(24)29-18-6-5-15(8-20(18)30-12(2)25)17-7-16-9-21(31-13(3)26)22(32-14(4)27)10-19(16)33-23(17)28/h5-10H,1-4H3
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n/an/a 1.78E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50144454
PNG
(1-(3,4-Bis-benzoyloxy-5-benzoyloxymethyl-tetrahydr...)
Show SMILES CCOC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O |r|
Show InChI InChI=1S/C38H30ClNO10/c1-2-46-38(45)28-21-40(29-19-18-26(39)20-27(29)31(28)41)34-33(50-37(44)25-16-10-5-11-17-25)32(49-36(43)24-14-8-4-9-15-24)30(48-34)22-47-35(42)23-12-6-3-7-13-23/h3-21,30,32-34H,2,22H2,1H3
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n/an/a 2.90E+4n/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


(Homo sapiens (Human))
BDBM50404360
PNG
(CHEMBL69085)
Show SMILES Oc1cccc2cc(-c3ccc4OCOc4c3)c(=O)oc12
Show InChI InChI=1S/C16H10O5/c17-12-3-1-2-10-6-11(16(18)21-15(10)12)9-4-5-13-14(7-9)20-8-19-13/h1-7,17H,8H2
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n/an/a 3.09E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50318642
PNG
(3-(4-Hydroxy-phenyl)-chromen-2-one | 3-(4-hydroxyp...)
Show SMILES Oc1ccc(cc1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C15H10O3/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9,16H
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n/an/a 3.89E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50144453
PNG
(Adenosine analogue | CHEMBL3142239)
Show SMILES COc1ccc(cc1)-n1nc2c(cn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c3ccccc23)c1=O |r|
Show InChI InChI=1S/C43H33N3O9/c1-51-31-23-21-30(22-24-31)46-39(47)33-25-45(34-20-12-11-19-32(34)36(33)44-46)40-38(55-43(50)29-17-9-4-10-18-29)37(54-42(49)28-15-7-3-8-16-28)35(53-40)26-52-41(48)27-13-5-2-6-14-27/h2-25,35,37-38,40H,26H2,1H3
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n/an/a 4.50E+4n/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


(Homo sapiens (Human))
BDBM50404369
PNG
(CHEMBL303027)
Show SMILES CC(=O)Oc1ccc(cc1)-c1cc2cc(OC(C)=O)ccc2oc1=O
Show InChI InChI=1S/C19H14O6/c1-11(20)23-15-5-3-13(4-6-15)17-10-14-9-16(24-12(2)21)7-8-18(14)25-19(17)22/h3-10H,1-2H3
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n/an/a 5.25E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50220736
PNG
(Chalepin)
Show SMILES CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C |r|
Show InChI InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404358
PNG
(CHEMBL419813)
Show SMILES O=c1oc2ccc(cc2cc1-c1ccc2OCOc2c1)\N=C\c1ccco1
Show InChI InChI=1S/C21H13NO5/c23-21-17(13-3-5-19-20(10-13)26-12-25-19)9-14-8-15(4-6-18(14)27-21)22-11-16-2-1-7-24-16/h1-11H,12H2/b22-11+
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n/an/a 5.62E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404372
PNG
(CHEMBL67979)
Show SMILES O=c1oc2ccc(cc2cc1-c1ccc2OCOc2c1)\N=C\c1ccc[nH]1
Show InChI InChI=1S/C21H14N2O4/c24-21-17(13-3-5-19-20(10-13)26-12-25-19)9-14-8-15(4-6-18(14)27-21)23-11-16-2-1-7-22-16/h1-11,22H,12H2/b23-11+
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n/an/a 5.62E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404365
PNG
(CHEMBL70378)
Show SMILES CC(=O)Oc1ccc2oc(=O)c(cc2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H12O6/c1-10(19)23-13-3-5-15-12(6-13)7-14(18(20)24-15)11-2-4-16-17(8-11)22-9-21-16/h2-8H,9H2,1H3
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n/an/a 6.46E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404362
PNG
(CHEMBL71407)
Show SMILES Oc1cccc(c1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C15H10O3/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)18-15(13)17/h1-9,16H
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n/an/a 6.76E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404368
PNG
(CHEMBL302011)
Show SMILES CC1=C2C(COc3ccc4ccc(=O)oc4c23)OC1=O |t:1|
Show InChI InChI=1S/C15H10O5/c1-7-12-10(19-15(7)17)6-18-9-4-2-8-3-5-11(16)20-14(8)13(9)12/h2-5,10H,6H2,1H3
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n/an/a 7.41E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404371
PNG
(CHEMBL305426)
Show SMILES COc1cccc(c1)-c1cc2cc(OC(C)=O)ccc2oc1=O
Show InChI InChI=1S/C18H14O5/c1-11(19)22-15-6-7-17-13(9-15)10-16(18(20)23-17)12-4-3-5-14(8-12)21-2/h3-10H,1-2H3
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n/an/a 8.51E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404366
PNG
(CHEMBL70732)
Show SMILES CC(=O)Oc1ccc2oc(=O)c(cc2c1)-c1ccccc1
Show InChI InChI=1S/C17H12O4/c1-11(18)20-14-7-8-16-13(9-14)10-15(17(19)21-16)12-5-3-2-4-6-12/h2-10H,1H3
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n/an/a 1.23E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50361397
PNG
(CHEMBL71358)
Show SMILES CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1 |c:17|
Show InChI InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
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n/an/a 1.23E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404367
PNG
(CHEMBL306160)
Show SMILES CC(=C)[C@H]1O[C@@H]1c1c(O)ccc2ccc(=O)oc12
Show InChI InChI=1S/C14H12O4/c1-7(2)12-14(18-12)11-9(15)5-3-8-4-6-10(16)17-13(8)11/h3-6,12,14-15H,1H2,2H3/t12-,14-/m1/s1
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n/an/a 1.29E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404363
PNG
(CHEMBL306543)
Show SMILES CC(=C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1
Show InChI InChI=1S/C14H12O3/c1-8(2)11-6-10-5-9-3-4-14(15)17-12(9)7-13(10)16-11/h3-5,7,11H,1,6H2,2H3/t11-/m1/s1
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n/an/a 1.45E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404370
PNG
(CHEMBL71850)
Show SMILES CC(C)(C=C)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C14H14O3/c1-4-14(2,3)11-7-9-5-6-10(15)8-12(9)17-13(11)16/h4-8,15H,1H2,2-3H3
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n/an/a 1.62E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404364
PNG
(CHEMBL305510)
Show SMILES CC(=C)[C@@H]1Cc2c(O1)cc(O)c1ccc(=O)oc21
Show InChI InChI=1S/C14H12O4/c1-7(2)11-5-9-12(17-11)6-10(15)8-3-4-13(16)18-14(8)9/h3-4,6,11,15H,1,5H2,2H3/t11-/m0/s1
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n/an/a 1.91E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50292575
PNG
(8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | CHEMB...)
Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
Show InChI InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
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n/an/a 1.95E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50240512
PNG
(7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one | ...)
Show SMILES [#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
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n/an/a 2.09E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50156693
PNG
(6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...)
Show SMILES COc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
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n/an/a 2.57E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50404361
PNG
(CHEMBL421484)
Show SMILES COc1c2CCOc2cc2oc(=O)ccc12
Show InChI InChI=1S/C12H10O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-3,6H,4-5H2,1H3
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n/an/a 3.47E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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n/an/a 6.17E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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n/an/a 6.92E+5n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


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