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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 292.3
BDBM50349747		Wt: 292.3
BDBM50349761		Wt: 306.4
BDBM50349763		Wt: 306.4
BDBM130590		Wt: 292.3
BDBM130594
Wt: 171.5
BDBM50241201Purchase		Wt: 214.1
BDBM50241205Purchase		Wt: 217.2
BDBM50241206Purchase		Wt: 246.3
BDBM50241207		Wt: 300.3
BDBM511678
Wt: 286.3
BDBM511679		Wt: 306.3
BDBM511684		Wt: 292.3
BDBM511686		Wt: 306.3
BDBM511689		Wt: 306.3
BDBM511690
Displayed 1 to 15 (of 412 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 30 hits in this display   
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
Ketohexokinase


(Homo sapiens (Human))		BDBM511679
PNG
(4-(1-phenyl-1H-indazol-6- yl)pyridin-2-amine | US1...)
Show SMILES Nc1cc(ccn1)-c1ccc2cnn(-c3ccccc3)c2c1
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n/an/a 1.17n/an/an/an/an/an/a


TBA

Assay Description
Specific high-throughput screening assays were developed for KHK-C and KHK-A using recombinant proteins. Purified human recombinant KHK-C and KHK-A w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18PJ
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM511678
PNG
(4-(1-(m-tolyl)-1H-indazol-6- yl)pyridin-2-amine | ...)
Show SMILES Cc1cccc(c1)-n1ncc2ccc(cc12)-c1ccnc(N)c1
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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Specific high-throughput screening assays were developed for KHK-C and KHK-A using recombinant proteins. Purified human recombinant KHK-C and KHK-A w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18PJ
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM511689
PNG
(N-(1-(m-tolyl)-1H-indazol-6- yl)azetidine-3-carbox...)
Show SMILES Cc1cccc(c1)-n1ncc2ccc(NC(=O)C3CNC3)cc12
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n/an/a 510n/an/an/an/an/an/a


TBA

Assay Description
Specific high-throughput screening assays were developed for KHK-C and KHK-A using recombinant proteins. Purified human recombinant KHK-C and KHK-A w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18PJ
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM511686
PNG
(N-(azetidin-3-yl)-1-phenyl- 1H-indazole-6-carboxam...)
Show SMILES O=C(NC1CNC1)c1ccc2cnn(-c3ccccc3)c2c1
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n/an/a 580n/an/an/an/an/an/a


TBA

Assay Description
Specific high-throughput screening assays were developed for KHK-C and KHK-A using recombinant proteins. Purified human recombinant KHK-C and KHK-A w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18PJ
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM130594
PNG
(US8822447, 72 | US9771375, Example 72)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(N)C1
Show InChI InChI=1S/C18H20N4/c1-13-17-8-7-16(21-10-9-14(19)12-21)11-18(17)22(20-13)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12,19H2,1H3
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n/an/a 680n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...

US Patent US9771375 (2017)


BindingDB Entry DOI: 10.7270/Q20R9RJW
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM130594
PNG
(US8822447, 72 | US9771375, Example 72)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCC(N)C1
Show InChI InChI=1S/C18H20N4/c1-13-17-8-7-16(21-10-9-14(19)12-21)11-18(17)22(20-13)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12,19H2,1H3
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n/an/a 680n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...

US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM511690
PNG
(US11083720, Compound C-72)
Show SMILES Cc1cccc(c1)-n1ncc2ccc(NC(=O)C3CCN3)cc12
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Specific high-throughput screening assays were developed for KHK-C and KHK-A using recombinant proteins. Purified human recombinant KHK-C and KHK-A w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18PJ
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50349747
PNG
(CHEMBL1809174 | US8822447, 59 | US9771375, Example...)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4/c1-14-17-8-7-16(21-11-9-19-10-12-21)13-18(17)22(20-14)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of KHK-mediated conversion of D-fructose to fructose-1-phosphate after 60 mins by high throughput mass spectrometry analysis

Bioorg Med Chem Lett 21: 4762-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.067
BindingDB Entry DOI: 10.7270/Q2M61KMR
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50349761
PNG
(CHEMBL1809188)
Show SMILES Cn1nc(-c2ccccc2)c2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4/c1-21-17-8-7-15(22-11-9-19-10-12-22)13-16(17)18(20-21)14-5-3-2-4-6-14/h2-8,13,19H,9-12H2,1H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of KHK-mediated conversion of D-fructose to fructose-1-phosphate after 60 mins by high throughput mass spectrometry analysis

Bioorg Med Chem Lett 21: 4762-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.067
BindingDB Entry DOI: 10.7270/Q2M61KMR
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50349747
PNG
(CHEMBL1809174 | US8822447, 59 | US9771375, Example...)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4/c1-14-17-8-7-16(21-11-9-19-10-12-21)13-18(17)22(20-14)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...

US Patent US9771375 (2017)


BindingDB Entry DOI: 10.7270/Q20R9RJW
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50349747
PNG
(CHEMBL1809174 | US8822447, 59 | US9771375, Example...)
Show SMILES Cc1nn(-c2ccccc2)c2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4/c1-14-17-8-7-16(21-11-9-19-10-12-21)13-18(17)22(20-14)15-5-3-2-4-6-15/h2-8,13,19H,9-12H2,1H3
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n/an/a 1.28E+3n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...

US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM130590
PNG
(US8822447, 68 | US9771375, Example 68)
Show SMILES CN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H22N4/c1-15-18-9-8-17(22-12-10-21(2)11-13-22)14-19(18)23(20-15)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
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n/an/a 1.57E+3n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...

US Patent US9771375 (2017)


BindingDB Entry DOI: 10.7270/Q20R9RJW
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM130590
PNG
(US8822447, 68 | US9771375, Example 68)
Show SMILES CN1CCN(CC1)c1ccc2c(C)nn(-c3ccccc3)c2c1
Show InChI InChI=1S/C19H22N4/c1-15-18-9-8-17(22-12-10-21(2)11-13-22)14-19(18)23(20-15)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
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n/an/a 1.57E+3n/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...

US Patent US8822447 (2014)


BindingDB Entry DOI: 10.7270/Q2M0443Q
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM511684
PNG
(N-(azetidin-3-yl)-1-(m-tolyl)- 1H-indazole-6-carbo...)
Show SMILES Cc1cccc(c1)-n1ncc2ccc(cc12)C(=O)NC1CNC1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Specific high-throughput screening assays were developed for KHK-C and KHK-A using recombinant proteins. Purified human recombinant KHK-C and KHK-A w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18PJ
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50349763
PNG
(CHEMBL1809190)
Show SMILES CCc1nc(-c2ccccc2)n2cc(ccc12)N1CCNCC1
Show InChI InChI=1S/C19H22N4/c1-2-17-18-9-8-16(22-12-10-20-11-13-22)14-23(18)19(21-17)15-6-4-3-5-7-15/h3-9,14,20H,2,10-13H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of KHK-mediated conversion of D-fructose to fructose-1-phosphate after 60 mins by high throughput mass spectrometry analysis

Bioorg Med Chem Lett 21: 4762-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.067
BindingDB Entry DOI: 10.7270/Q2M61KMR
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50241205
PNG
(CHEMBL1463512)
Show SMILES Oc1nc2ccccc2nc1C(F)(F)F
Show InChI InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50241205
PNG
(CHEMBL1463512)
Show SMILES Oc1nc2ccccc2nc1C(F)(F)F
Show InChI InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50241207
PNG
(CHEMBL4086173)
Show SMILES Cc1c[nH]c2ncnc(N3CCC[C@@H](CO)C3)c12 |r|
Show InChI InChI=1S/C13H18N4O/c1-9-5-14-12-11(9)13(16-8-15-12)17-4-2-3-10(6-17)7-18/h5,8,10,18H,2-4,6-7H2,1H3,(H,14,15,16)/t10-/m1/s1
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n/an/a 1.18E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))		BDBM50241207
PNG
(CHEMBL4086173)
Show SMILES Cc1c[nH]c2ncnc(N3CCC[C@@H](CO)C3)c12 |r|
Show InChI InChI=1S/C13H18N4O/c1-9-5-14-12-11(9)13(16-8-15-12)17-4-2-3-10(6-17)7-18/h5,8,10,18H,2-4,6-7H2,1H3,(H,14,15,16)/t10-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))		BDBM50241206
PNG
(CHEMBL1500542)
Show SMILES Cc1cc(C)c(C#N)c(n1)N1CCOCC1
Show InChI InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
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n/an/a 3.16E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding constant against dopamine receptor D2 (in vitro)

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))		BDBM50241205
PNG
(CHEMBL1463512)
Show SMILES Oc1nc2ccccc2nc1C(F)(F)F
Show InChI InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
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n/an/a 3.19E+5n/an/an/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPH

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50241206
PNG
(CHEMBL1500542)
Show SMILES Cc1cc(C)c(C#N)c(n1)N1CCOCC1
Show InChI InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
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n/an/a 3.19E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))		BDBM50241206
PNG
(CHEMBL1500542)
Show SMILES Cc1cc(C)c(C#N)c(n1)N1CCOCC1
Show InChI InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
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n/an/a 3.19E+5n/an/an/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPH

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))		BDBM50241201
PNG
(CHEMBL4074975)
Show SMILES Nc1nc(Cl)c(cc1F)C#N
Show InChI InChI=1S/C6H3ClFN3/c7-5-3(2-9)1-4(8)6(10)11-5/h1H,(H2,10,11)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50241205
PNG
(CHEMBL1463512)
Show SMILES Oc1nc2ccccc2nc1C(F)(F)F
Show InChI InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
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n/an/an/a 4.40E+4n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human biotin-labeled KHK by SPR assay

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50241207
PNG
(CHEMBL4086173)
Show SMILES Cc1c[nH]c2ncnc(N3CCC[C@@H](CO)C3)c12 |r|
Show InChI InChI=1S/C13H18N4O/c1-9-5-14-12-11(9)13(16-8-15-12)17-4-2-3-10(6-17)7-18/h5,8,10,18H,2-4,6-7H2,1H3,(H,14,15,16)/t10-/m1/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human biotin-labeled KHK by SPR assay

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))		BDBM50241206
PNG
(CHEMBL1500542)
Show SMILES Cc1cc(C)c(C#N)c(n1)N1CCOCC1
Show InChI InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
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n/an/an/a 6.20E+4n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human biotin-labeled KHK by SPR assay

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Ketohexokinase


(Homo sapiens (Human))		BDBM50241205
PNG
(CHEMBL1463512)
Show SMILES Oc1nc2ccccc2nc1C(F)(F)F
Show InChI InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
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n/an/an/a 4.40E+4n/an/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPH

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50241201
PNG
(CHEMBL4074975)
Show SMILES Nc1nc(Cl)c(cc1F)C#N
Show InChI InChI=1S/C6H3ClFN3/c7-5-3(2-9)1-4(8)6(10)11-5/h1H,(H2,10,11)
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n/an/an/a 1.03E+5n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human biotin-labeled KHK by SPR assay

J Med Chem 60: 7835-7849 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00947
BindingDB Entry DOI: 10.7270/Q2H997CM
More data for this
Ligand-Target Pair
Ketohexokinase


(Homo sapiens (Human))		BDBM50241206
PNG
(CHEMBL1500542)
Show SMILES Cc1cc(C)c(C#N)c(n1)N1CCOCC1
Show InChI InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
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n/an/an/a 6.20E+4n/an/an/an/an/a



Terns Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPH

J Med Chem 63: 5031-5073 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01701
BindingDB Entry DOI: 10.7270/Q2DJ5JXG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)