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Found 537 hits Enz. Inhib. hit(s) with Target = 'putative hexokinase HKDC1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
putative hexokinase HKDC1


(Homo sapiens)
BDBM54416
PNG
(4-(4-morpholinyl)naphthalene-1,2-dione | 4-Morphol...)
Show SMILES O=C1C=C(N2CCOCC2)c2ccccc2C1=O
Show InChI InChI=1S/C14H13NO3/c16-13-9-12(15-5-7-18-8-6-15)10-3-1-2-4-11(10)14(13)17/h1-4,9H,5-8H2
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n/an/a 1.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM54416
PNG
(4-(4-morpholinyl)naphthalene-1,2-dione | 4-Morphol...)
Show SMILES O=C1C=C(N2CCOCC2)c2ccccc2C1=O
Show InChI InChI=1S/C14H13NO3/c16-13-9-12(15-5-7-18-8-6-15)10-3-1-2-4-11(10)14(13)17/h1-4,9H,5-8H2
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n/an/a 1.27E+3n/an/an/an/an/an/a



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 (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM53434
PNG
(4-(1-piperidinyl)-1,2-naphthalenedione | 4-(1-pipe...)
Show SMILES O=C1C=C(N2CCCCC2)c2ccccc2C1=O
Show InChI InChI=1S/C15H15NO2/c17-14-10-13(16-8-4-1-5-9-16)11-6-2-3-7-12(11)15(14)18/h2-3,6-7,10H,1,4-5,8-9H2
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n/an/a 1.34E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80754
PNG
(1-amino-8-methoxy-benzo[f]quinazoline-7,10-quinone...)
Show SMILES COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O
Show InChI InChI=1S/C13H9N3O3/c1-19-9-4-8(17)10-6(12(9)18)2-3-7-11(10)13(14)16-5-15-7/h2-5H,1H3,(H2,14,15,16)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM53380
PNG
(MLS001332477 | SMR000857110 | Sennoside A | cid_16...)
Show SMILES OC[C@H]1OC(Oc2cccc3[C@@H]([C@@H]4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c5c(O)cc(cc45)C(O)=O)c4cc(cc(O)c4C(=O)c23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42?/m1/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM33185
PNG
(4-({(4Z)-1-oxo-4-[(phenylsulfonyl)imino]-1,4-dihyd...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H16N2O5S/c26-22-19-9-5-4-8-18(19)20(25-31(29,30)17-6-2-1-3-7-17)14-21(22)24-16-12-10-15(11-13-16)23(27)28/h1-14,24H,(H,27,28)
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n/an/a 1.63E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM68913
PNG
((4E)-4-[[(5-bromo-2-pyrimidinyl)hydrazo]methyliden...)
Show SMILES Oc1ccc(CN=Nc2ncc(Br)cn2)c(O)c1
Show InChI InChI=1S/C11H9BrN4O2/c12-8-5-13-11(14-6-8)16-15-4-7-1-2-9(17)3-10(7)18/h1-3,5-6,17-18H,4H2
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n/an/a 1.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM48729
PNG
(4-Methyl-N-[4-oxo-3-(2H-[1,2,4]triazol-3-ylsulfany...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H14N4O3S2/c1-12-6-8-13(9-7-12)28(25,26)23-16-10-17(27-19-20-11-21-22-19)18(24)15-5-3-2-4-14(15)16/h2-11H,1H3,(H,20,21,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80754
PNG
(1-amino-8-methoxy-benzo[f]quinazoline-7,10-quinone...)
Show SMILES COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O
Show InChI InChI=1S/C13H9N3O3/c1-19-9-4-8(17)10-6(12(9)18)2-3-7-11(10)13(14)16-5-15-7/h2-5H,1H3,(H2,14,15,16)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM54927
PNG
(4-(benzylamino)-1,2-naphthoquinone | 4-(benzylamin...)
Show SMILES O=C1C=C(NCc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(16)20/h1-10,18H,11H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80752
PNG
(MLS002701599 | SMR001565200 | cid_377172)
Show SMILES Cc1[nH]c2c([nH]c1C)c(=O)c1C3CCC(C=C3)c1c2=O
Show InChI InChI=1S/C16H14N2O2/c1-7-8(2)18-14-13(17-7)15(19)11-9-3-5-10(6-4-9)12(11)16(14)20/h3,5,9-10H,4,6H2,1-2H3
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n/an/a 2.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80750
PNG
((6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyr...)
Show SMILES COCC(=O)OC1=c2nc3c(O)c(NC(C)=O)c(=C)c(O)c3n2CC1
Show InChI InChI=1S/C16H17N3O6/c1-7-11(17-8(2)20)15(23)12-13(14(7)22)19-5-4-9(16(19)18-12)25-10(21)6-24-3/h22-23H,1,4-6H2,2-3H3,(H,17,20)
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n/an/a 2.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80736
PNG
(4-[[1-oxo-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]e...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CSc2ccc(nn2)-c2ccccn2)cc1
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-20(26)14-6-8-15(9-7-14)22-18(25)13-28-19-11-10-17(23-24-19)16-5-3-4-12-21-16/h3-12H,2,13H2,1H3,(H,22,25)
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n/an/a 2.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80750
PNG
((6-acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyr...)
Show SMILES COCC(=O)OC1=c2nc3c(O)c(NC(C)=O)c(=C)c(O)c3n2CC1
Show InChI InChI=1S/C16H17N3O6/c1-7-11(17-8(2)20)15(23)12-13(14(7)22)19-5-4-9(16(19)18-12)25-10(21)6-24-3/h22-23H,1,4-6H2,2-3H3,(H,17,20)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80752
PNG
(MLS002701599 | SMR001565200 | cid_377172)
Show SMILES Cc1[nH]c2c([nH]c1C)c(=O)c1C3CCC(C=C3)c1c2=O
Show InChI InChI=1S/C16H14N2O2/c1-7-8(2)18-14-13(17-7)15(19)11-9-3-5-10(6-4-9)12(11)16(14)20/h3,5,9-10H,4,6H2,1-2H3
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n/an/a 2.23E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80736
PNG
(4-[[1-oxo-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]e...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CSc2ccc(nn2)-c2ccccn2)cc1
Show InChI InChI=1S/C20H18N4O3S/c1-2-27-20(26)14-6-8-15(9-7-14)22-18(25)13-28-19-11-10-17(23-24-19)16-5-3-4-12-21-16/h3-12H,2,13H2,1H3,(H,22,25)
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n/an/a 2.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 2.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80687
PNG
(MLS000084034 | SMR000048761 | cid_667382)
Show SMILES CC(C)c1nc2oc3c(NCC4CCCO4)ncnc3c2c2CC(C)(C)OCc12
Show InChI InChI=1S/C22H28N4O3/c1-12(2)17-15-10-28-22(3,4)8-14(15)16-18-19(29-21(16)26-17)20(25-11-24-18)23-9-13-6-5-7-27-13/h11-13H,5-10H2,1-4H3,(H,23,24,25)
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n/an/a 2.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM53434
PNG
(4-(1-piperidinyl)-1,2-naphthalenedione | 4-(1-pipe...)
Show SMILES O=C1C=C(N2CCCCC2)c2ccccc2C1=O
Show InChI InChI=1S/C15H15NO2/c17-14-10-13(16-8-4-1-5-9-16)11-6-2-3-7-12(11)15(14)18/h2-3,6-7,10H,1,4-5,8-9H2
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n/an/a 2.39E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM34736
PNG
(1,4-diketo-3-(4-methoxyphenyl)naphthalene-2-carbox...)
Show SMILES CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H16O5/c1-3-25-20(23)17-16(12-8-10-13(24-2)11-9-12)18(21)14-6-4-5-7-15(14)19(17)22/h4-11H,3H2,1-2H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM42233
PNG
(4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H16N4O3S2/c1-2-13-7-9-14(10-8-13)29(26,27)24-17-11-18(28-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3,(H,21,22,23)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80753
PNG
(4-(2-hydroxy-1-naphthalenyl)naphthalene-1,2-dione ...)
Show SMILES Oc1ccc2ccccc2c1C1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C20H12O3/c21-17-10-9-12-5-1-2-6-13(12)19(17)16-11-18(22)20(23)15-8-4-3-7-14(15)16/h1-11,21H
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n/an/a 2.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80763
PNG
(2,6-Dimethoxy-1,4-benzoquinone | 2,6-dimethoxy-p-b...)
Show SMILES COC1=CC(=O)C=C(OC)C1=O
Show InChI InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
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n/an/a 2.49E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM54927
PNG
(4-(benzylamino)-1,2-naphthoquinone | 4-(benzylamin...)
Show SMILES O=C1C=C(NCc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c19-16-10-15(18-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(16)20/h1-10,18H,11H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80723
PNG
(3-(4-Fluoro-phenyl)-10-methyl-2-thiophen-2-yl-3H,1...)
Show SMILES Cn1c2ccccc2c(=O)c2c1nc(-c1cccs1)n(-c1ccc(F)cc1)c2=O
Show InChI InChI=1S/C22H14FN3O2S/c1-25-16-6-3-2-5-15(16)19(27)18-21(25)24-20(17-7-4-12-29-17)26(22(18)28)14-10-8-13(23)9-11-14/h2-12H,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



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 (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM48038
PNG
(4-[(E)-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H18N2O5S/c1-15-6-2-5-9-20(15)25-22-14-21(18-7-3-4-8-19(18)23(22)27)26-32(30,31)17-12-10-16(11-13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 2.53E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80743
PNG
(2,3,5-trimethoxy-p-benzoquinone | 2,3,5-trimethoxy...)
Show SMILES COC1=CC(=O)C(OC)=C(OC)C1=O
Show InChI InChI=1S/C9H10O5/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4H,1-3H3
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n/an/a 2.56E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM51785
PNG
((5E)-1-(2,5-dimethoxyphenyl)-5-(2-furanylmethylide...)
Show SMILES COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C17H14N2O5S/c1-22-10-5-6-14(23-2)13(9-10)19-16(21)12(15(20)18-17(19)25)8-11-4-3-7-24-11/h3-9H,1-2H3,(H,18,20,25)
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n/an/a 2.57E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80762
PNG
(Bacitracin zinc salt | MLS002207255 | SMR001306784...)
Show SMILES [Zn++].CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC([O-])=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC([O-])=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC
Show InChI InChI=1S/C66H103N17O16S.Zn/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88);/q;+2/p-2/t35?,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48?,52?,53-,54-;/m0./s1
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n/an/a 2.69E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80723
PNG
(3-(4-Fluoro-phenyl)-10-methyl-2-thiophen-2-yl-3H,1...)
Show SMILES Cn1c2ccccc2c(=O)c2c1nc(-c1cccs1)n(-c1ccc(F)cc1)c2=O
Show InChI InChI=1S/C22H14FN3O2S/c1-25-16-6-3-2-5-15(16)19(27)18-21(25)24-20(17-7-4-12-29-17)26(22(18)28)14-10-8-13(23)9-11-14/h2-12H,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM33185
PNG
(4-({(4Z)-1-oxo-4-[(phenylsulfonyl)imino]-1,4-dihyd...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H16N2O5S/c26-22-19-9-5-4-8-18(19)20(25-31(29,30)17-6-2-1-3-7-17)14-21(22)24-16-12-10-15(11-13-16)23(27)28/h1-14,24H,(H,27,28)
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n/an/a 2.74E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80726
PNG
(2-(5-Isopropyl-2,2-dimethyl-1,4-dihydro-2H-3,7-dio...)
Show SMILES CC(C)c1nc2oc3c(NCCO)ncnc3c2c2CC(C)(C)OCc12
Show InChI InChI=1S/C19H24N4O3/c1-10(2)14-12-8-25-19(3,4)7-11(12)13-15-16(26-18(13)23-14)17(20-5-6-24)22-9-21-15/h9-10,24H,5-8H2,1-4H3,(H,20,21,22)
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n/an/a 2.82E+3n/an/an/an/an/an/a



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 (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM48038
PNG
(4-[(E)-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H18N2O5S/c1-15-6-2-5-9-20(15)25-22-14-21(18-7-3-4-8-19(18)23(22)27)26-32(30,31)17-12-10-16(11-13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 2.84E+3n/an/an/an/an/an/a



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 (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM42233
PNG
(4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H16N4O3S2/c1-2-13-7-9-14(10-8-13)29(26,27)24-17-11-18(28-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3,(H,21,22,23)
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n/an/a 2.85E+3n/an/an/an/an/an/a



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 (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM50250
PNG
((NZ)-4-isopropyl-N-[4-keto-3-(1H-1,2,4-triazol-5-y...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H18N4O3S2/c1-13(2)14-7-9-15(10-8-14)30(27,28)25-18-11-19(29-21-22-12-23-24-21)20(26)17-6-4-3-5-16(17)18/h3-13H,1-2H3,(H,22,23,24)
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n/an/a 2.88E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM48716
PNG
(2-[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxy...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C20H19NO5S2/c1-12-7-8-13(2)18(9-12)28(25,26)21-16-10-17(27-11-19(22)23)20(24)15-6-4-3-5-14(15)16/h3-10,21,24H,11H2,1-2H3,(H,22,23)
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n/an/a 2.96E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM48030
PNG
(4-[(E)-[3-(2-fluoroanilino)-4-keto-1-naphthylidene...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccccc2F)C(=O)c2ccccc12
Show InChI InChI=1S/C23H15FN2O5S/c24-18-7-3-4-8-19(18)25-21-13-20(16-5-1-2-6-17(16)22(21)27)26-32(30,31)15-11-9-14(10-12-15)23(28)29/h1-13,25H,(H,28,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80757
PNG
(MLS002701980 | N-(3-chloro-1,4-diketo-2-naphthyl)b...)
Show SMILES CCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12ClNO3/c1-2-5-10(17)16-12-11(15)13(18)8-6-3-4-7-9(8)14(12)19/h3-4,6-7H,2,5H2,1H3,(H,16,17)
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n/an/a 3.06E+3n/an/an/an/an/an/a



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 (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80067
PNG
(MLS002693850 | N-(1,4-diketo-2-naphthyl)benzamide ...)
Show SMILES O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)
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n/an/a 3.09E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 3.15E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80713
PNG
(MLS000707808 | N-(2-chloranyl-5-morpholin-4-ylsulf...)
Show SMILES Cc1cc2nnc(SCC(=O)Nc3cc(ccc3Cl)S(=O)(=O)N3CCOCC3)n2c2ccccc12
Show InChI InChI=1S/C23H22ClN5O4S2/c1-15-12-21-26-27-23(29(21)20-5-3-2-4-17(15)20)34-14-22(30)25-19-13-16(6-7-18(19)24)35(31,32)28-8-10-33-11-9-28/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)
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n/an/a 3.16E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM48804
PNG
(3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-...)
Show SMILES O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
Show InChI InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+
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n/an/a 3.20E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM48729
PNG
(4-Methyl-N-[4-oxo-3-(2H-[1,2,4]triazol-3-ylsulfany...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H14N4O3S2/c1-12-6-8-13(9-7-12)28(25,26)23-16-10-17(27-19-20-11-21-22-19)18(24)15-5-3-2-4-14(15)16/h2-11H,1H3,(H,20,21,22)
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n/an/a 3.29E+3n/an/an/an/an/an/a



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 (2011)

More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80076
PNG
(2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-...)
Show SMILES COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=CC1=O
Show InChI InChI=1S/C18H14O4S/c1-21-17-14(19)10-15(16(20)18(17)22-2)23-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
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n/an/a 3.33E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM48771
PNG
((Z)-2-butenedioic acid;2-[[2-(methylaminomethyl)ph...)
Show SMILES CNCc1ccccc1Sc1cc(O)ccc1O
Show InChI InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17/h2-8,15-17H,9H2,1H3
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n/an/a 3.35E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM47938
PNG
((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC
Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1
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n/an/a 3.35E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80726
PNG
(2-(5-Isopropyl-2,2-dimethyl-1,4-dihydro-2H-3,7-dio...)
Show SMILES CC(C)c1nc2oc3c(NCCO)ncnc3c2c2CC(C)(C)OCc12
Show InChI InChI=1S/C19H24N4O3/c1-10(2)14-12-8-25-19(3,4)7-11(12)13-15-16(26-18(13)23-14)17(20-5-6-24)22-9-21-15/h9-10,24H,5-8H2,1-4H3,(H,20,21,22)
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n/an/a 3.39E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80060
PNG
(2-(2-methyl-1H-indol-3-yl)-p-benzoquinone | 2-(2-m...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CC(=O)C=CC1=O
Show InChI InChI=1S/C15H11NO2/c1-9-15(11-4-2-3-5-13(11)16-9)12-8-10(17)6-7-14(12)18/h2-8,16H,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80714
PNG
(2-(1H-benzimidazol-2-ylmethyl)-1,4-benzenediol | 2...)
Show SMILES Oc1ccc(O)c(Cc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H12N2O2/c17-10-5-6-13(18)9(7-10)8-14-15-11-3-1-2-4-12(11)16-14/h1-7,17-18H,8H2,(H,15,16)
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n/an/a 3.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


Citation and Details
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80763
PNG
(2,6-Dimethoxy-1,4-benzoquinone | 2,6-dimethoxy-p-b...)
Show SMILES COC1=CC(=O)C=C(OC)C1=O
Show InChI InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
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n/an/a 3.54E+3n/an/an/an/an/an/a



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 (2011)

More data for this
Ligand-Target Pair
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