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Compile Data Set for Download or QSAR

Found 101 hits of affinity data for UniProtKB/TrEMBL: P19367    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_649556
PNG
(2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...)
Show SMILES O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
PDB
MMDB

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PC cid
PC sid
ZINC 1
AffyNet 
PCBioAssay
n/an/an/an/a 37100n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_654682
PNG
(MLS000031522 | N-{2-[4-(2-Hydroxy-ethyl)-piperazin...)
Show SMILES OCCN1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
PDB
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n/an/an/an/a 24000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_666224
PNG
(MLS000039591 | SMR000037549)
Show SMILES COc1ccc(cc1OC)-c1nc2n(C)c(=O)n(C)c(=O)c2n1CC1CC(=NO1)c1ccccc1 |c:29|
PDB
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n/an/an/an/a 35100n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_666834
PNG
(MLS000084626 | SMR000048155)
Show SMILES COC(=O)Cn1c2ccc(F)cc2c2nc(C)sc12
PDB
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n/an/an/an/a 8100n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_2545261
PNG
(MLS000058610 | SMR000068243)
Show SMILES CCn1c2ccccc2c2nc3cc(ccc3nc12)S(=O)(=O)N1CCOCC1
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_5307803
PNG
(MLS000118361 | SMR000095303)
Show SMILES Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCc5ccccc5C4)c3c2c1
PDB
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n/an/an/an/a 36700n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_5309702
PNG
(MLS000118337 | SMR000095279)
Show SMILES Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCCC4)c3c2c1
PDB
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n/an/an/an/a 21700n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_2898054
PNG
(MLS000110376 | SMR000106306)
Show SMILES O=S(=O)(NC1C(N2CCNCC2)c2cccc3cccc1c23)c1ccccc1
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n/an/an/an/a 13600n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_757789
PNG
(MLS000104333 | SMR000054268)
Show SMILES Cc1cc(C)nc(c1)N=c1ssnc1Cl
PDB
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n/an/an/an/a 39900n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_1777481
PNG
(1-[(4-chlorobenzylidene)amino]-2-imino-3-(4-methyl...)
Show SMILES Cc1ccc(cc1)\N=C1/N(N=Cc2ccc(Cl)cc2)C(=N)N(C1=S)c1ccc(C)cc1
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_723330
PNG
(4-(3-bromophenyl)-1,3-thiazol-2-amine | MLS0005393...)
Show SMILES Nc1nc(cs1)-c1cccc(Br)c1
PDB
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n/an/an/an/a 49300n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_2238453
PNG
(MLS000538903 | SMR000144740 | ethyl 2-[({[1-(4-met...)
Show SMILES CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1
PDB
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n/an/an/an/a 37400n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_715719
PNG
(MLS-0390832.0001)
Show SMILES Cc1ccc(cc1)\N=c1/ssnc1Cl
PDB
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n/an/an/an/a 53200n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_4572408
PNG
(MLS000565740 | SMR000152898)
Show SMILES Clc1cccc(NC2=NN=C(CS2)c2ccc3OCCOc3c2)c1 |c:9,t:7|
PDB
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n/an/an/an/a 41300n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_4258569
PNG
(MLS000565792 | SMR000152923)
Show SMILES CCNC1=NN=C(CS1)c1ccc(C)cc1 |c:5,t:3|
PDB
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n/an/an/an/a 63100n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_4877709
PNG
(MLS000566795 | SMR000153752)
Show SMILES COc1ccc(NC2=NN=C(CS2)c2ccc3OCCOc3c2)cc1 |c:9,t:7|
PDB
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n/an/an/an/a 23900n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_11834397
PNG
(MLS000564997 | SMR000152175)
Show SMILES Br.CC(C)(C)c1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1 |t:17|
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n/an/an/an/a 47400n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_5439935
PNG
(4-({[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro...)
Show SMILES COc1cc(SC#N)ccc1N\C=C1\C(C)=NN(C1=O)c1ccc(Cl)cc1 |c:16|
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_746923
PNG
(2-Acetylamino-5-benzyl-4-methyl-thiophene-3-carbox...)
Show SMILES COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(C)=O
PDB
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n/an/an/an/a 39400n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_11958783
PNG
(3,5-dibromo-2-hydroxybenzaldehyde (4-amino-4H-1,2,...)
Show SMILES Cl.Nn1cnnc1NN\C=C1/C=C(Br)C=C(Br)C1=O |t:11,14|
PDB
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n/an/an/an/a 42300n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_5335769
PNG
(5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbalde...)
Show SMILES CC1=NN(C(=O)\C1=C\NNc1nncc(n1)-c1ccccc1)c1ccccc1 |t:1|
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_11958865
PNG
(5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbalde...)
Show SMILES CCCCN(CCCC)C(=S)NN\C=C1\C(C)=NN(C1=O)c1ccccc1 |c:16|
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_1864167
PNG
(3-(2-oxo-2H-chromen-3-yl)-N-[4-(1-pyrrolidinyl)phe...)
Show SMILES O=C(Nc1ccc(cc1)N1CCCC1)c1cccc(c1)-c1cc2ccccc2oc1=O
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_2971539
PNG
(3-chloro-6-nitro-N-(1,2,2-trimethylpropyl)-1-benzo...)
Show SMILES CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O)C(C)(C)C
PDB
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n/an/an/an/a 46800n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_2913537
PNG
(MLS000547762 | N-[2-(4-Methyl-4H-[1,2,4]triazol-3-...)
Show SMILES Cn1cnnc1SC1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
PDB
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n/an/an/an/a 24700n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_3901921
PNG
(MLS000586062 | SMR000204425 | quinolin-8-yl (1E)-N...)
Show SMILES CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_1884906
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
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_2039005
PNG
(4-Benzyl-7-fluoro-2-methyl-4H-thiazolo[5,4-b]indol...)
Show SMILES Cc1nc2c(s1)n(Cc1ccccc1)c1ccc(F)cc21
PDB
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n/an/an/an/a 57500n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_6289422
PNG
(MLS000697044 | SMR000237820)
Show SMILES CC(C)(C)c1nnc(NN\C=C2/C=C(Br)C=CC2=O)n(N)c1=O |c:15,t:12|
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_6508333
PNG
(MLS000416702 | SMR000241739)
Show SMILES OC1=CC(=O)C=C\C1=C/NNC(=S)Nc1cccnc1 |c:5,t:1|
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_6099324
PNG
(MLS000335157 | SMR000249915)
Show SMILES CCOC(=O)C1=C(C)\C(N=C1C)=C1\CSC(Nc2ccccc2)=NN1 |c:5,9,24|
PDB
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n/an/an/an/a 18200n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_5831714
PNG
(MLS000393335 | SMR000243723)
Show SMILES CCCOC1=CC(=O)\C(=C\NNC(=S)Nc2ccccc2[N+]([O-])=O)C=C1 |c:25,t:4|
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_1881906
PNG
(3,5-Dimethoxy-N-[N'-(pyrazine-2-carbonyl)-hydr...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC(=S)NNC(=O)c1cnccn1
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_2135781
PNG
(MLS000722098 | SMR000236766)
Show SMILES COc1ccc(cc1)-c1[nH]c(nc1SCC(=O)Nc1nccs1)-c1ccc(SC)cc1
PDB
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n/an/an/an/a 16300n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_15944930
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [1...)
Show SMILES OC1=CC(=O)C=C\C1=C/NNC(=O)CNC(=O)c1ccc2OCCOc2c1 |c:5,t:1|
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_6095443
PNG
(MLS000375273 | SMR000254526)
Show SMILES CCOC(=O)C1=C(C)\C(N=C1C)=C1\CSC(Nc2ccc(OCC)cc2)=NN1 |c:5,9,27|
PDB
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n/an/an/an/a 21100n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_8968424
PNG
(MLS000390436 | SMR000255403)
Show SMILES Fc1ccc(NC2=NN=C(CS2)c2cc(F)ccc2F)cc1 |c:8,t:6|
PDB
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n/an/an/an/a 28900n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_5147972
PNG
(MLS000391095 | SMR000260132)
Show SMILES Cc1ccccc1NC1=NN=C(CS1)c1ccccc1F |c:11,t:9|
PDB
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n/an/an/an/a 53200n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_15945255
PNG
(MLS000336298 | SMR000253852)
Show SMILES CCOC(=O)C1=C(C)\C(N=C1C)=C1\CSC(Nc2ccccc2OC)=NN1 |c:5,9,26|
PDB
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n/an/an/an/a 15300n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_5240041
PNG
(MLS000339491 | SMR000244106)
Show SMILES CCc1ccc(cc1)C1=NN=C(Nc2cccc(c2)S(=O)(=O)N(C)C)SC1 |t:9,11|
PDB
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n/an/an/an/a 8260n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_805756
PNG
(8-[(1-allyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]qui...)
Show SMILES [O-][N+](=O)c1nc(Sc2cccc3cccnc23)n(CC=C)n1
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_1837768
PNG
(MLS000718986 | SMR000291254)
Show SMILES CCOC(=O)Cn1c2ccc(F)cc2c2nc(C)sc12
PDB
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n/an/an/an/a 56200n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_1882305
PNG
(MLS000664026 | N-[(2-{[5-(4-methoxyphenyl)-1H-pyra...)
Show SMILES COc1ccc(cc1)-c1cc([nH]n1)C(=O)NNC(=S)NC(=O)c1c(C)onc1-c1ccccc1
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_969982
PNG
(MLS000662162 | N-(3,4-dichlorophenyl)-2-(2-pyridin...)
Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccccn2)cc1Cl
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_4424444
PNG
(MLS000339502 | SMR000244117)
Show SMILES O=S(=O)([#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)c1ccc(-[#7]-[#6](=S)-[#7]\[#7]=[#6](/[#6]-c2ccccc2)-[#6]-c2ccccc2)cc1
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_5401098
PNG
(MLS000703560 | SMR000273925)
Show SMILES Cc1nonc1C(=O)NN\C=C1/C=CC(=O)C=C1O |c:13,17|
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_1881345
PNG
(4-fluoro-N-{[2-(2-pyrazinylcarbonyl)hydrazino]carb...)
Show SMILES Fc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
PDB
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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_548573
PNG
(MLS000717769 | SMR000279137)
Show SMILES Clc1nss\c1=N\c1ccc(Cl)cn1
PDB
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n/an/an/an/a 65400n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_16192857
PNG
(MLS000709676 | SMR000286543)
Show SMILES [I-].CC[n+]1c(\C=C2/Sc3ccccc3N2C)ccc2cccc(C)c12
PDB
MMDB

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n/an/an/an/a>80000n/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
hexokinase-1 isoform HKI


(Homo sapiens)
cid_775616
PNG
(MLS000711584 | SMR000281351)
Show SMILES O=C(CSc1cccc2cccnc12)NN=Cc1cccnc1
PDB
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n/an/an/an/a>80000n/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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