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There are 47 purchasable compounds for target: Hexokinase type I

Wt: 274.1
BDBM34233
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Wt: 275.2
BDBM32004
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Wt: 393.5
BDBM42405
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Wt: 327.7
BDBM45724
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Wt: 447.5
BDBM48647
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Wt: 340.8
BDBM47735
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Wt: 459.3
BDBM46772
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Wt: 473.5
BDBM50673
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Wt: 314.3
BDBM52665
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Wt: 285.3
BDBM57988
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Wt: 402.5
BDBM63324
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Wt: 319.3
BDBM66059
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Wt: 357.3
BDBM66066
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Wt: 405.5
BDBM64731
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Wt: 341.2
BDBM64655
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Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 34233,32004,42405,45724,48647,47735,46772,50673,52665,57988,63324,66059,66066,64731,64655   
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
Hexokinase type I


(Homo sapiens (Human))
BDBM32004
PNG
(2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...)
Show SMILES O=C1C(Nc2ccccc12)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,18H
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n/an/an/an/a 3.71E+4n/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
Hexokinase type I


(Homo sapiens (Human))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/an/an/a 4.19E+4n/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...


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Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM48647
PNG
(2-[[2-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]-1-o...)
Show SMILES CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H21N5O4S2/c1-5-28-18(26)16-11(2)12(3)30-17(16)20-15(25)10-29-19-21-22-23-24(19)13-6-8-14(27-4)9-7-13/h6-9H,5,10H2,1-4H3,(H,20,25)
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n/an/an/an/a 3.74E+4n/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
Hexokinase type I


(Homo sapiens (Human))
BDBM47735
PNG
(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)
Show SMILES CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O)C(C)(C)C
Show InChI InChI=1S/C15H17ClN2O3S/c1-8(15(2,3)4)17-14(19)13-12(16)10-6-5-9(18(20)21)7-11(10)22-13/h5-8H,1-4H3,(H,17,19)
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n/an/an/an/a 4.68E+4n/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...


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More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM46772
PNG
(4-Bromo-N-[N'-(5-methyl-3-phenyl-isoxazole-4-c...)
Show SMILES Cc1onc(c1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C19H15BrN4O3S/c1-11-15(16(24-27-11)12-5-3-2-4-6-12)18(26)22-23-19(28)21-17(25)13-7-9-14(20)10-8-13/h2-10H,1H3,(H,22,26)(H2,21,23,25,28)
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n/an/an/an/a>8.00E+4n/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...


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More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM63324
PNG
(3-[[5-(4-ethylphenyl)-6H-1,3,4-thiadiazin-2-yl]ami...)
Show SMILES CCc1ccc(cc1)C1=NN=C(Nc2cccc(c2)S(=O)(=O)N(C)C)SC1
Show InChI InChI=1S/C19H22N4O2S2/c1-4-14-8-10-15(11-9-14)18-13-26-19(22-21-18)20-16-6-5-7-17(12-16)27(24,25)23(2)3/h5-12H,4,13H2,1-3H3,(H,20,22)
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n/an/an/an/a 8.26E+3n/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
Hexokinase type I


(Homo sapiens (Human))
BDBM64655
PNG
(1-(3,4-dichlorophenyl)-3-(pyridin-2-ylcarbonylamin...)
Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C13H10Cl2N4OS/c14-9-5-4-8(7-10(9)15)17-13(21)19-18-12(20)11-3-1-2-6-16-11/h1-7H,(H,18,20)(H2,17,19,21)
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n/an/an/an/a>8.00E+4n/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...


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More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM66059
PNG
(4-fluoranyl-N-[(pyrazin-2-ylcarbonylamino)carbamot...)
Show SMILES Fc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
Show InChI InChI=1S/C13H10FN5O2S/c14-9-3-1-8(2-4-9)11(20)17-13(22)19-18-12(21)10-7-15-5-6-16-10/h1-7H,(H,18,21)(H2,17,19,20,22)
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n/an/an/an/a>8.00E+4n/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
Hexokinase type I


(Homo sapiens (Human))
BDBM52665
PNG
(1-(5-acetyl-3-methyl-6-phenyl-5H-[1,2,4]triazolo[3...)
Show SMILES CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c1-9(20)14-13(12-7-5-4-6-8-12)19(11(3)21)18-10(2)16-17-15(18)22-14/h4-8H,1-3H3
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n/an/an/an/a 2.08E+4n/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
Hexokinase type I


(Homo sapiens (Human))
BDBM57988
PNG
((2-fluorophenyl)-(5-phenyl-6H-1,3,4-thiadiazin-2-y...)
Show SMILES Fc1ccccc1NC1=NN=C(CS1)c1ccccc1
Show InChI InChI=1S/C15H12FN3S/c16-12-8-4-5-9-13(12)17-15-19-18-14(10-20-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
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n/an/an/an/a 2.97E+4n/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
Hexokinase type I


(Homo sapiens (Human))
BDBM50673
PNG
(MLS001002736 | N-[4-[2-(4-morpholin-4-ylsulfonylan...)
Show SMILES CC(=O)Nc1ccc(cc1)C1=NN=C(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)SC1
Show InChI InChI=1S/C21H23N5O4S2/c1-15(27)22-17-4-2-16(3-5-17)20-14-31-21(25-24-20)23-18-6-8-19(9-7-18)32(28,29)26-10-12-30-13-11-26/h2-9H,10-14H2,1H3,(H,22,27)(H,23,25)
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n/an/an/an/a 7.65E+3n/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...


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More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM45724
PNG
(4-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yla...)
Show SMILES OC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H10ClNO4/c18-13-14(19-10-7-5-9(6-8-10)17(22)23)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,19H,(H,22,23)
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n/an/an/an/a 1.06E+4n/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
Hexokinase type I


(Homo sapiens (Human))
BDBM66066
PNG
((E)-3-(4-Methoxy-phenyl)-N-[N'-(pyrazine-2-car...)
Show SMILES COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C16H15N5O3S/c1-24-12-5-2-11(3-6-12)4-7-14(22)19-16(25)21-20-15(23)13-10-17-8-9-18-13/h2-10H,1H3,(H,20,23)(H2,19,21,22,25)/b7-4+
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n/an/an/an/a>8.00E+4n/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
Hexokinase type I


(Homo sapiens (Human))
BDBM64731
PNG
(MLS001212827 | N-[[4-(diethylamino)phenyl]-(8-hydr...)
Show SMILES CCCCC(=O)NC(c1ccc(cc1)N(CC)CC)c1ccc2cccnc2c1O
Show InChI InChI=1S/C25H31N3O2/c1-4-7-10-22(29)27-23(19-11-14-20(15-12-19)28(5-2)6-3)21-16-13-18-9-8-17-26-24(18)25(21)30/h8-9,11-17,23,30H,4-7,10H2,1-3H3,(H,27,29)
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n/an/an/an/a>8.00E+4n/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...


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More data for this
Ligand-Target Pair
Hexokinase type I


(Homo sapiens (Human))
BDBM42405
PNG
(MLS000110376 | N-(2-piperazin-1-yl-1,2-dihydroacen...)
Show SMILES O=S(=O)(NC1C(N2CCNCC2)c2cccc3cccc1c23)c1ccccc1
Show InChI InChI=1S/C22H23N3O2S/c26-28(27,17-8-2-1-3-9-17)24-21-18-10-4-6-16-7-5-11-19(20(16)18)22(21)25-14-12-23-13-15-25/h1-11,21-24H,12-15H2
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n/an/an/an/a 1.36E+4n/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