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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P46406   
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


(Oryctolagus cuniculus)
BDBM50439262
PNG
(CHEMBL2419244)
Show SMILES CC(C)(C)C(=O)OC1(CCCCC1)N=O
Show InChI InChI=1S/C11H19NO3/c1-10(2,3)9(13)15-11(12-14)7-5-4-6-8-11/h4-8H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry


J Med Chem 56: 6583-92 (2013)


Article DOI: 10.1021/jm400057r
BindingDB Entry DOI: 10.7270/Q2PV6MSG
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50439263
PNG
(1-NITROSOCYCLOHEXYL ACETATE)
Show SMILES CC(=O)OC1(CCCCC1)N=O
Show InChI InChI=1S/C8H13NO3/c1-7(10)12-8(9-11)5-3-2-4-6-8/h2-6H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry


J Med Chem 56: 6583-92 (2013)


Article DOI: 10.1021/jm400057r
BindingDB Entry DOI: 10.7270/Q2PV6MSG
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50439264
PNG
(ANGELI'S SALT | Angeli''s Salt)
Show SMILES [O-]N([O-])N=O
Show InChI InChI=1S/N2O3/c3-1-2(4)5/q-2
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n/an/a 400n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry


J Med Chem 56: 6583-92 (2013)


Article DOI: 10.1021/jm400057r
BindingDB Entry DOI: 10.7270/Q2PV6MSG
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50439261
PNG
(1-NITROSOCYCLOHEXYL TRIFLUOROACETATE)
Show SMILES FC(F)(F)C(=O)OC1(CCCCC1)N=O
Show InChI InChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-7(12-14)4-2-1-3-5-7/h1-5H2
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n/an/a 670n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry


J Med Chem 56: 6583-92 (2013)


Article DOI: 10.1021/jm400057r
BindingDB Entry DOI: 10.7270/Q2PV6MSG
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50216861
PNG
(2,5-dihydroxy-3-(7-(3-methylbut-2-enyl)-1H-indol-3...)
Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c([nH]c3ccccc23)C(C)(C)C=C)C(=O)C1=O |(10.47,-14.93,;9.15,-15.73,;9.19,-17.27,;7.8,-15,;6.48,-15.8,;6.54,-17.34,;8.04,-17.62,;8.56,-19.08,;7.56,-20.24,;6.05,-19.96,;4.83,-20.89,;3.56,-20.01,;4,-18.54,;5.54,-18.5,;4.86,-22.43,;6.18,-23.23,;7.53,-22.49,;6.15,-24.77,;7.46,-25.57,;4.8,-25.5,;4.76,-27.04,;5.94,-28.02,;5.37,-29.44,;3.84,-29.34,;2.75,-30.41,;1.27,-30,;.89,-28.51,;1.99,-27.44,;3.47,-27.85,;7.48,-28.01,;7.49,-29.55,;7.46,-26.47,;9.01,-27.99,;9.8,-29.31,;3.48,-24.72,;2.13,-25.46,;3.51,-23.18,;2.19,-22.39,)|
Show InChI InChI=1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,24-25,33-34H,1,15H2,2-5H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to GAPDH in rabbit muscle


J Med Chem 50: 3423-6 (2007)


Article DOI: 10.1021/jm070437i
BindingDB Entry DOI: 10.7270/Q2TT4RS8
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50324683
PNG
(CHEMBL1222315 | N-(2-(2-(2-(4-(3,4-dihydroxyphenet...)
Show SMILES Oc1ccc(CCNc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccccc3)n2)cc1O
Show InChI InChI=1S/C30H35N7O5/c38-25-12-11-22(21-26(25)39)13-14-32-28-35-29(37-30(36-28)34-24-9-5-2-6-10-24)33-16-18-42-20-19-41-17-15-31-27(40)23-7-3-1-4-8-23/h1-12,21,38-39H,13-20H2,(H,31,40)(H3,32,33,34,35,36,37)
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n/an/a 1.50E+4n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Inhibition of rabbit GAPDH glycolytic activity


Nat Chem Biol 3: 55-9 (2007)


Article DOI: 10.1038/nchembio833
BindingDB Entry DOI: 10.7270/Q29W0FPQ
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50320387
PNG
(CHEMBL1086376 | polyveoline)
Show SMILES C[C@@]12CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]1C[C@@H]1Nc3ccccc3[C@H]21 |r|
Show InChI InChI=1S/C23H33NO/c1-21(2)17-9-11-23(4)18(22(17,3)12-10-19(21)25)13-16-20(23)14-7-5-6-8-15(14)24-16/h5-8,16-20,24-25H,9-13H2,1-4H3/t16-,17-,18-,19+,20-,22-,23+/m0/s1
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n/an/a 6.20E+5n/an/an/an/an/an/a



University of Yaound£ I

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH


Bioorg Med Chem Lett 20: 3495-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.145
BindingDB Entry DOI: 10.7270/Q2HH6K8B
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50320386
PNG
(3-O-acetylgreenwayodendrin | CHEMBL1083629)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4cc5ccccc5n4[C@]3(C)CC[C@H]2C1(C)C |r|
Show InChI InChI=1S/C25H33NO2/c1-16(27)28-22-11-12-24(4)20(23(22,2)3)10-13-25(5)21(24)15-18-14-17-8-6-7-9-19(17)26(18)25/h6-9,14,20-22H,10-13,15H2,1-5H3/t20-,21+,22-,24-,25+/m0/s1
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n/an/a 2.05E+6n/an/an/an/an/an/a



University of Yaound£ I

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH


Bioorg Med Chem Lett 20: 3495-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.145
BindingDB Entry DOI: 10.7270/Q2HH6K8B
More data for this
Ligand-Target Pair