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PubChem AID 1227

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
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 liver


(Homo sapiens)
BDBM31759
PNG
(2-[5-[(Z)-(3-bromanyl-8-oxidanylidene-[1,3]thiazol...)
Show SMILES OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
Show InChI InChI=1S/C20H10BrN3O4S/c21-10-7-14-17(22-9-10)24-18(25)16(29-20(24)23-14)8-11-5-6-15(28-11)12-3-1-2-4-13(12)19(26)27/h1-9H,(H,26,27)/b16-8-
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n/an/a 2.31E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM41877
PNG
(4,5,6,7-tetrachloro-2-(1H-1,2,4-triazol-5-yl)isoin...)
Show SMILES Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
Show InChI InChI=1S/C10H2Cl4N4O2/c11-4-2-3(5(12)7(14)6(4)13)9(20)18(8(2)19)10-15-1-16-17-10/h1H,(H,15,16,17)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM41998
PNG
((9Z)-9-(3,3-dihydroxyprop-2-enylidene)-5,6-dihydro...)
Show SMILES OC(=O)C=Cc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H10O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-6,17,21-22H,(H,19,20)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31754
PNG
(MLS-0010366.0001 | N-(5-phenyl-1,2,4-thiadiazol-3-...)
Show SMILES O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
Show InChI InChI=1S/C20H14N6OS3/c27-16(21-18-22-17(30-25-18)14-9-5-2-6-10-14)12-29-20-24-23-19-26(20)15(11-28-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,25,27)
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n/an/a 2.74E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM37440
PNG
(MLS000065807 | N-(1,2-oxazol-3-yl)-2-thiophen-2-yl...)
Show SMILES O=C(Cc1cccs1)Nc1ccon1
Show InChI InChI=1S/C9H8N2O2S/c12-9(6-7-2-1-5-14-7)10-8-3-4-13-11-8/h1-5H,6H2,(H,10,11,12)
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n/an/a 2.74E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31735
PNG
((7Z)-3-bromanyl-7-(furan-2-ylmethylidene)-[1,3]thi...)
Show SMILES Brc1cnc2c(c1)nc1s\c(=C/c3ccco3)c(=O)n21
Show InChI InChI=1S/C13H6BrN3O2S/c14-7-4-9-11(15-6-7)17-12(18)10(20-13(17)16-9)5-8-2-1-3-19-8/h1-6H/b10-5-
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n/an/a 2.78E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31729
PNG
(8-bromanyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qu...)
Show SMILES OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12
Show InChI InChI=1S/C13H12BrNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)13(16)17/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)
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n/an/a 2.87E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM42070
PNG
(2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl...)
Show SMILES Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H23N5OS/c1-17-7-5-6-10-19(17)26-16-22-23-21(26)28-15-20(27)25-13-11-24(12-14-25)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3
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n/an/a 3.63E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31748
PNG
(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Show SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O
Show InChI InChI=1S/C13H11ClN2O5/c14-7-4-8(17)11-9(12(7)16(20)21)5-2-1-3-6(5)10(15-11)13(18)19/h1-2,4-6,10,15,17H,3H2,(H,18,19)
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n/an/a 3.78E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31757
PNG
(6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES OC(=O)C1Nc2c(O)cccc2C2C=CCC12
Show InChI InChI=1S/C13H13NO3/c15-10-6-2-5-8-7-3-1-4-9(7)12(13(16)17)14-11(8)10/h1-3,5-7,9,12,14-15H,4H2,(H,16,17)
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n/an/a 4.77E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM41996
PNG
(6-iodanyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES OC(=O)C1Nc2c(I)cccc2C2C=CCC12
Show InChI InChI=1S/C13H12INO2/c14-10-6-2-5-8-7-3-1-4-9(7)12(13(16)17)15-11(8)10/h1-3,5-7,9,12,15H,4H2,(H,16,17)
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n/an/a 4.78E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM42073
PNG
(MLS-0111921.0001 | N-(5-methyl-1,2-oxazol-3-yl)thi...)
Show SMILES Cc1cc(NC(=O)c2cccs2)no1
Show InChI InChI=1S/C9H8N2O2S/c1-6-5-8(11-13-6)10-9(12)7-3-2-4-14-7/h2-5H,1H3,(H,10,11,12)
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n/an/a 5.01E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31761
PNG
(6-(benzenesulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclop...)
Show SMILES OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12
Show InChI InChI=1S/C19H17NO4S/c21-19(22)18-15-9-4-8-13(15)14-10-5-11-16(17(14)20-18)25(23,24)12-6-2-1-3-7-12/h1-8,10-11,13,15,18,20H,9H2,(H,21,22)
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n/an/a 5.64E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM41993
PNG
(8-sulfamoyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]q...)
Show SMILES NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C13H14N2O4S/c14-20(18,19)7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)13(16)17/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)(H2,14,18,19)
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n/an/a 6.22E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM42072
PNG
((E)-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-p...)
Show SMILES Cc1cc(NC(=O)\C=C\c2cccs2)no1
Show InChI InChI=1S/C11H10N2O2S/c1-8-7-10(13-15-8)12-11(14)5-4-9-3-2-6-16-9/h2-7H,1H3,(H,12,13,14)/b5-4+
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n/an/a 6.26E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM41956
PNG
(7,9-bis(chloranyl)-3a,4,5,9b-tetrahydro-3H-cyclope...)
Show SMILES OC(=O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12
Show InChI InChI=1S/C13H11Cl2NO2/c14-6-4-9(15)11-7-2-1-3-8(7)12(13(17)18)16-10(11)5-6/h1-2,4-5,7-8,12,16H,3H2,(H,17,18)
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n/an/a 6.27E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31758
PNG
(8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
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n/an/a 7.07E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31742
PNG
(8-[butoxy(oxo)methyl]-3a,4,5,9b-tetrahydro-3H-cycl...)
Show SMILES CCCCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C18H21NO4/c1-2-3-9-23-18(22)11-7-8-15-14(10-11)12-5-4-6-13(12)16(19-15)17(20)21/h4-5,7-8,10,12-13,16,19H,2-3,6,9H2,1H3,(H,20,21)
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n/an/a 7.66E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31740
PNG
(8-(2-naphthoxycarbonyl)-3a,4,5,9b-tetrahydro-3H-cy...)
Show SMILES OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C24H19NO4/c26-23(27)22-19-7-3-6-18(19)20-13-16(9-11-21(20)25-22)24(28)29-17-10-8-14-4-1-2-5-15(14)12-17/h1-6,8-13,18-19,22,25H,7H2,(H,26,27)
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n/an/a 7.68E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31756
PNG
(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-8-6-7-12-10-4-3-5-11(10)14(15(17)18)16-13(12)9(8)2/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
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n/an/a 8.08E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM42075
PNG
(2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1...)
Show SMILES COc1ccc(cc1)-c1[nH]nc(c1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c1-28-17-13-11-16(12-14-17)22-20(21(26-27-22)15-7-3-2-4-8-15)23-24-18-9-5-6-10-19(18)25-23/h2-14H,1H3,(H,24,25)(H,26,27)
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n/an/a 8.12E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31737
PNG
(2-[5-[(Z)-(1-keto-5,7-dimethyl-thiazolo[3,2-a]benz...)
Show SMILES Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
Show InChI InChI=1S/C23H16N2O4S/c1-12-9-13(2)20-17(10-12)25-21(26)19(30-23(25)24-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11-
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n/an/a 8.71E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31741
PNG
(8-(2-methylpropoxycarbonyl)-3a,4,5,9b-tetrahydro-3...)
Show SMILES CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C18H21NO4/c1-10(2)9-23-18(22)11-6-7-15-14(8-11)12-4-3-5-13(12)16(19-15)17(20)21/h3-4,6-8,10,12-13,16,19H,5,9H2,1-2H3,(H,20,21)
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n/an/a 8.73E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM29615
PNG
(6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES COc1cccc2C3C=CCC3C(Nc12)C(O)=O
Show InChI InChI=1S/C14H15NO3/c1-18-11-7-3-6-9-8-4-2-5-10(8)13(14(16)17)15-12(9)11/h2-4,6-8,10,13,15H,5H2,1H3,(H,16,17)
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n/an/a 8.89E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31727
PNG
(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES Cc1cc(C)c2C3C=CCC3C(Nc2c1)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-8-6-9(2)13-10-4-3-5-11(10)14(15(17)18)16-12(13)7-8/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
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n/an/a 9.14E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31765
PNG
(MLS-0024020.0001 | N-(5-methyl-1,2-oxazol-3-yl)-2-...)
Show SMILES Cc1cc(NC(=O)Cc2cccs2)no1
Show InChI InChI=1S/C10H10N2O2S/c1-7-5-9(12-14-7)11-10(13)6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,12,13)
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n/an/a 9.22E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31745
PNG
(8-(2-carbomethoxyphenoxy)carbonyl-3a,4,5,9b-tetrah...)
Show SMILES COC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C22H19NO6/c1-28-22(27)15-5-2-3-8-18(15)29-21(26)12-9-10-17-16(11-12)13-6-4-7-14(13)19(23-17)20(24)25/h2-6,8-11,13-14,19,23H,7H2,1H3,(H,24,25)
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n/an/a 9.36E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM42074
PNG
(MLS-0111922.0001 | N-(5-methyl-1,2-oxazol-3-yl)-2-...)
Show SMILES Cc1cc(NC(=O)Cc2ccc(C)cc2)no1
Show InChI InChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)8-13(16)14-12-7-10(2)17-15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
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n/an/a 9.38E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31734
PNG
(8-carbethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C16H17NO4/c1-2-21-16(20)9-6-7-13-12(8-9)10-4-3-5-11(10)14(17-13)15(18)19/h3-4,6-8,10-11,14,17H,2,5H2,1H3,(H,18,19)
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n/an/a 9.54E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31723
PNG
(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quino...)
Show SMILES OC(=O)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4/c16-13(17)12-9-3-1-2-8(9)10-6-7(15(18)19)4-5-11(10)14-12/h1-2,4-6,8-9,12,14H,3H2,(H,16,17)
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n/an/a 9.74E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31764
PNG
(MLS-0005454.0001 | N-(5-amyl-1,3,4-thiadiazol-2-yl...)
Show SMILES CCCCCc1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C13H17N3OS2/c1-2-3-4-7-12-15-16-13(19-12)14-11(17)9-10-6-5-8-18-10/h5-6,8H,2-4,7,9H2,1H3,(H,14,16,17)
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n/an/a 9.86E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM31750
PNG
(5,6-bis(2-furanyl)-3-(methylthio)-1,2,4-triazine |...)
Show SMILES CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C12H9N3O2S/c1-18-12-13-10(8-4-2-6-16-8)11(14-15-12)9-5-3-7-17-9/h2-7H,1H3
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n/an/a 9.91E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens)
BDBM42071
PNG
(MLS-0111919.0001 | N-(5-pentan-3-yl-1,3,4-thiadiaz...)
Show SMILES CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C13H17N3OS2/c1-3-9(4-2)12-15-16-13(19-12)14-11(17)8-10-6-5-7-18-10/h5-7,9H,3-4,8H2,1-2H3,(H,14,16,17)
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n/an/a 9.97E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%