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PubMed code 24405213

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Hexokinase-4


(Homo sapiens (Human))		BDBM50447276
PNG
(CHEMBL3113985)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1C2CCC1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H30F3N3O4S2/c1-23(31,24(25,26)27)17-4-6-18(7-5-17)29-11-10-28(36(32,33)22-3-2-12-35-22)13-21(29)14-30-19-8-9-20(30)16-34-15-19/h2-7,12,19-21,31H,8-11,13-16H2,1H3/t19?,20?,21-,23?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447275
PNG
(CHEMBL3114185)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447274
PNG
(CHEMBL3114183)
Show SMILES CC#CC1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447273
PNG
(CHEMBL3114186)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C21H23F3N4O3S/c1-3-4-17-14-27(32(30,31)18-9-10-19(25)26-13-18)11-12-28(17)16-7-5-15(6-8-16)20(2,29)21(22,23)24/h5-10,13,17,29H,11-12,14H2,1-2H3,(H2,25,26)/t17-,20-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447272
PNG
(CHEMBL3113980)
Show SMILES C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r|
Show InChI InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447271
PNG
(CHEMBL3114187)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C21H23F3N4O3S/c1-3-4-17-14-27(32(30,31)18-9-10-19(25)26-13-18)11-12-28(17)16-7-5-15(6-8-16)20(2,29)21(22,23)24/h5-10,13,17,29H,11-12,14H2,1-2H3,(H2,25,26)/t17-,20+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447270
PNG
(CHEMBL3113988)
Show SMILES C[C@@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@@H]2C[C@@H](O)[C@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,THB:15:16:18.19:24.22.23,20:19:16:24.22.23|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19-,20-,21-,23-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447269
PNG
(CHEMBL3113989)
Show SMILES C[C@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@@H]2C[C@@H](O)[C@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,THB:15:16:18.19:23.22.24,20:19:16:23.22.24|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19-,20-,21-,23+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447268
PNG
(CHEMBL3113990)
Show SMILES C[C@@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@H]2C[C@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.24.22,THB:15:16:18.19:23.24.22|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19+,20-,21-,23+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447267
PNG
(CHEMBL3113987)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@@H]2C[C@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.22.24|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19-,20+,21+,23?/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447266
PNG
(CHEMBL3113986)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@@H]2C[C@@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.22.24|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19-,20+,21-,23?/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447264
PNG
(CHEMBL3114188)
Show SMILES CCC#CC1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C22H22F6N4O3S/c1-2-3-4-17-14-31(36(34,35)18-9-10-19(29)30-13-18)11-12-32(17)16-7-5-15(6-8-16)20(33,21(23,24)25)22(26,27)28/h5-10,13,17,33H,2,11-12,14H2,1H3,(H2,29,30)
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n/an/a 56n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447265
PNG
(CHEMBL3113991)
Show SMILES C[C@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@H]2C[C@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.24.22,THB:15:16:18.19:23.24.22|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19+,20-,21-,23-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447263
PNG
(CHEMBL3114000)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26)
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n/an/a 87n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447262
PNG
(CHEMBL3113983)
Show SMILES CC1CS(=O)(=O)CCN1C[C@H]1CN(CCN1c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r|
Show InChI InChI=1S/C23H30F3N3O5S3/c1-17-16-36(31,32)13-11-27(17)14-20-15-28(37(33,34)21-4-3-12-35-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,12,17,20,30H,9-11,13-16H2,1-2H3/t17?,20-,22?/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447283
PNG
(CHEMBL3113994)
Show SMILES Nc1ccc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H17F6N3O3S2/c18-16(19,20)15(27,17(21,22)23)11-1-3-12(4-2-11)25-7-9-26(10-8-25)31(28,29)14-6-5-13(24)30-14/h1-6,27H,7-10,24H2
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n/an/a 252n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447291
PNG
(CHEMBL3114001)
Show SMILES Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H17F6N5O3S/c18-16(19,20)15(29,17(21,22)23)11-1-3-12(4-2-11)27-5-7-28(8-6-27)32(30,31)13-9-25-14(24)26-10-13/h1-4,9-10,29H,5-8H2,(H2,24,25,26)
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n/an/a 316n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447282
PNG
(CHEMBL3113995)
Show SMILES Nc1csc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H17F6N3O3S2/c18-16(19,20)15(27,17(21,22)23)11-1-3-13(4-2-11)25-5-7-26(8-6-25)31(28,29)14-9-12(24)10-30-14/h1-4,9-10,27H,5-8,24H2
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n/an/a 324n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447290
PNG
(CHEMBL3113982)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCS(=O)(=O)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C22H28F3N3O5S3/c1-21(29,22(23,24)25)17-4-6-18(7-5-17)28-9-8-27(36(32,33)20-3-2-12-34-20)16-19(28)15-26-10-13-35(30,31)14-11-26/h2-7,12,19,29H,8-11,13-16H2,1H3/t19-,21?/m0/s1
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n/an/a 343n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447289
PNG
(CHEMBL3113981)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCC(F)(F)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H28F5N3O3S2/c1-21(32,23(26,27)28)17-4-6-18(7-5-17)31-13-12-30(36(33,34)20-3-2-14-35-20)16-19(31)15-29-10-8-22(24,25)9-11-29/h2-7,14,19,32H,8-13,15-16H2,1H3/t19-,21?/m0/s1
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n/an/a 439n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447281
PNG
(CHEMBL3113996)
Show SMILES Nc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H19F6N3O3S/c20-18(21,22)17(29,19(23,24)25)13-5-7-14(8-6-13)27-9-11-28(12-10-27)32(30,31)16-4-2-1-3-15(16)26/h1-8,29H,9-12,26H2
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n/an/a 445n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447279
PNG
(CHEMBL3114184)
Show SMILES CC#C[C@@H]1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m1/s1
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n/an/a 484n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447288
PNG
(CHEMBL3113998)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H19F6N3O3S/c20-18(21,22)17(29,19(23,24)25)13-1-5-15(6-2-13)27-9-11-28(12-10-27)32(30,31)16-7-3-14(26)4-8-16/h1-8,29H,9-12,26H2
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n/an/a 484n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447285
PNG
(CHEMBL3113984)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CC2(COC2)C1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H28F3N3O4S2/c1-21(30,23(24,25)26)17-4-6-18(7-5-17)29-9-8-28(35(31,32)20-3-2-10-34-20)12-19(29)11-27-13-22(14-27)15-33-16-22/h2-7,10,19,30H,8-9,11-16H2,1H3/t19-,21?/m0/s1
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n/an/a 524n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447280
PNG
(CHEMBL3113997)
Show SMILES Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H19F6N3O3S/c20-18(21,22)17(29,19(23,24)25)13-4-6-15(7-5-13)27-8-10-28(11-9-27)32(30,31)16-3-1-2-14(26)12-16/h1-7,12,29H,8-11,26H2
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n/an/a 645n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447278
PNG
(CHEMBL3114189)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(C(C1)C#CC1CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N4O3S/c24-22(25,26)21(34,23(27,28)29)16-4-7-17(8-5-16)33-12-11-32(14-18(33)6-3-15-1-2-15)37(35,36)19-9-10-20(30)31-13-19/h4-5,7-10,13,15,18,34H,1-2,11-12,14H2,(H2,30,31)
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n/an/a 779n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447284
PNG
(CHEMBL3113993)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H18F6N2O3S/c20-18(21,22)17(28,19(23,24)25)14-6-8-15(9-7-14)26-10-12-27(13-11-26)31(29,30)16-4-2-1-3-5-16/h1-9,28H,10-13H2
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n/an/a 1.01E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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n/an/a 1.42E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447277
PNG
(CHEMBL3114190)
Show SMILES CC(C)(C)C#CC1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C24H26F6N4O3S/c1-21(2,3)11-10-18-15-33(38(36,37)19-8-9-20(31)32-14-19)12-13-34(18)17-6-4-16(5-7-17)22(35,23(25,26)27)24(28,29)30/h4-9,14,18,35H,12-13,15H2,1-3H3,(H2,31,32)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50447287
PNG
(CHEMBL3113999)
Show SMILES Nc1cc(ccn1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-26-15(25)11-14/h1-6,11,29H,7-10H2,(H2,25,26)
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n/an/a 8.63E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447262
PNG
(CHEMBL3113983)
Show SMILES CC1CS(=O)(=O)CCN1C[C@H]1CN(CCN1c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r|
Show InChI InChI=1S/C23H30F3N3O5S3/c1-17-16-36(31,32)13-11-27(17)14-20-15-28(37(33,34)21-4-3-12-35-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,12,17,20,30H,9-11,13-16H2,1-2H3/t17?,20-,22?/m0/s1
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447288
PNG
(CHEMBL3113998)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H19F6N3O3S/c20-18(21,22)17(29,19(23,24)25)13-1-5-15(6-2-13)27-9-11-28(12-10-27)32(30,31)16-7-3-14(26)4-8-16/h1-8,29H,9-12,26H2
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447271
PNG
(CHEMBL3114187)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C21H23F3N4O3S/c1-3-4-17-14-27(32(30,31)18-9-10-19(25)26-13-18)11-12-28(17)16-7-5-15(6-8-16)20(2,29)21(22,23)24/h5-10,13,17,29H,11-12,14H2,1-2H3,(H2,25,26)/t17-,20+/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447268
PNG
(CHEMBL3113990)
Show SMILES C[C@@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@H]2C[C@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.24.22,THB:15:16:18.19:23.24.22|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19+,20-,21-,23+/m0/s1
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n/an/an/an/a 1.67E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447290
PNG
(CHEMBL3113982)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCS(=O)(=O)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C22H28F3N3O5S3/c1-21(29,22(23,24)25)17-4-6-18(7-5-17)28-9-8-27(36(32,33)20-3-2-12-34-20)16-19(28)15-26-10-13-35(30,31)14-11-26/h2-7,12,19,29H,8-11,13-16H2,1H3/t19-,21?/m0/s1
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447273
PNG
(CHEMBL3114186)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](C)(O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C21H23F3N4O3S/c1-3-4-17-14-27(32(30,31)18-9-10-19(25)26-13-18)11-12-28(17)16-7-5-15(6-8-16)20(2,29)21(22,23)24/h5-10,13,17,29H,11-12,14H2,1-2H3,(H2,25,26)/t17-,20-/m0/s1
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n/an/an/an/a 227n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447269
PNG
(CHEMBL3113989)
Show SMILES C[C@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@@H]2C[C@@H](O)[C@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,THB:15:16:18.19:23.22.24,20:19:16:23.22.24|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19-,20-,21-,23+/m1/s1
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n/an/an/an/a 4.76E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447284
PNG
(CHEMBL3113993)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H18F6N2O3S/c20-18(21,22)17(28,19(23,24)25)14-6-8-15(9-7-14)26-10-12-27(13-11-26)31(29,30)16-4-2-1-3-5-16/h1-9,28H,10-13H2
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447282
PNG
(CHEMBL3113995)
Show SMILES Nc1csc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H17F6N3O3S2/c18-16(19,20)15(27,17(21,22)23)11-1-3-13(4-2-11)25-5-7-26(8-6-25)31(28,29)14-9-12(24)10-30-14/h1-4,9-10,27H,5-8,24H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447277
PNG
(CHEMBL3114190)
Show SMILES CC(C)(C)C#CC1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C24H26F6N4O3S/c1-21(2,3)11-10-18-15-33(38(36,37)19-8-9-20(31)32-14-19)12-13-34(18)17-6-4-16(5-7-17)22(35,23(25,26)27)24(28,29)30/h4-9,14,18,35H,12-13,15H2,1-3H3,(H2,31,32)
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447287
PNG
(CHEMBL3113999)
Show SMILES Nc1cc(ccn1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-26-15(25)11-14/h1-6,11,29H,7-10H2,(H2,25,26)
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447270
PNG
(CHEMBL3113988)
Show SMILES C[C@@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@@H]2C[C@@H](O)[C@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,THB:15:16:18.19:24.22.23,20:19:16:24.22.23|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19-,20-,21-,23-/m1/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447264
PNG
(CHEMBL3114188)
Show SMILES CCC#CC1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C22H22F6N4O3S/c1-2-3-4-17-14-31(36(34,35)18-9-10-19(29)30-13-18)11-12-32(17)16-7-5-15(6-8-16)20(33,21(23,24)25)22(26,27)28/h5-10,13,17,33H,2,11-12,14H2,1H3,(H2,29,30)
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n/an/an/an/a 2.93E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447285
PNG
(CHEMBL3113984)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CC2(COC2)C1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H28F3N3O4S2/c1-21(30,23(24,25)26)17-4-6-18(7-5-17)29-9-8-28(35(31,32)20-3-2-10-34-20)12-19(29)11-27-13-22(14-27)15-33-16-22/h2-7,10,19,30H,8-9,11-16H2,1H3/t19-,21?/m0/s1
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447283
PNG
(CHEMBL3113994)
Show SMILES Nc1ccc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H17F6N3O3S2/c18-16(19,20)15(27,17(21,22)23)11-1-3-12(4-2-11)25-7-9-26(10-8-25)31(28,29)14-6-5-13(24)30-14/h1-6,27H,7-10,24H2
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447279
PNG
(CHEMBL3114184)
Show SMILES CC#C[C@@H]1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447267
PNG
(CHEMBL3113987)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@@H]2C[C@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.22.24|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19-,20+,21+,23?/m1/s1
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n/an/an/an/a 1.29E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447266
PNG
(CHEMBL3113986)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@@H]2C[C@@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.22.24|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19-,20+,21-,23?/m1/s1
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n/an/an/an/a 1.69E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447289
PNG
(CHEMBL3113981)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCC(F)(F)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H28F5N3O3S2/c1-21(32,23(26,27)28)17-4-6-18(7-5-17)31-13-12-30(36(33,34)20-3-2-14-35-20)16-19(31)15-29-10-8-22(24,25)9-11-29/h2-7,14,19,32H,8-13,15-16H2,1H3/t19-,21?/m0/s1
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447275
PNG
(CHEMBL3114185)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1
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n/an/an/an/a 202n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447272
PNG
(CHEMBL3113980)
Show SMILES C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r|
Show InChI InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22?/m0/s1
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n/an/an/an/a 820n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447265
PNG
(CHEMBL3113991)
Show SMILES C[C@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@H]2C[C@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.24.22,THB:15:16:18.19:23.24.22|
Show InChI InChI=1S/C24H30F3N3O5S2/c1-23(32,24(25,26)27)16-4-6-17(7-5-16)29-9-8-28(37(33,34)22-3-2-10-36-22)12-19(29)13-30-18-11-21(31)20(30)15-35-14-18/h2-7,10,18-21,31-32H,8-9,11-15H2,1H3/t18-,19+,20-,21-,23-/m0/s1
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447263
PNG
(CHEMBL3114000)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26)
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447281
PNG
(CHEMBL3113996)
Show SMILES Nc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H19F6N3O3S/c20-18(21,22)17(29,19(23,24)25)13-5-7-14(8-6-13)27-9-11-28(12-10-27)32(30,31)16-4-2-1-3-15(16)26/h1-8,29H,9-12,26H2
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447278
PNG
(CHEMBL3114189)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(C(C1)C#CC1CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N4O3S/c24-22(25,26)21(34,23(27,28)29)16-4-7-17(8-5-16)33-12-11-32(14-18(33)6-3-15-1-2-15)37(35,36)19-9-10-20(30)31-13-19/h4-5,7-10,13,15,18,34H,1-2,11-12,14H2,(H2,30,31)
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447292
PNG
(CHEMBL3113979)
Show SMILES C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r|
Show InChI InChI=1S/C23H30F3N3O4S2/c1-17-16-33-12-11-27(17)14-20-15-28(35(31,32)21-4-3-13-34-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,13,17,20,30H,9-12,14-16H2,1-2H3/t17-,20-,22+/m0/s1
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n/an/an/an/a 1.79E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447276
PNG
(CHEMBL3113985)
Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1C2CCC1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H30F3N3O4S2/c1-23(31,24(25,26)27)17-4-6-18(7-5-17)29-11-10-28(36(32,33)22-3-2-12-35-22)13-21(29)14-30-19-8-9-20(30)16-34-15-19/h2-7,12,19-21,31H,8-11,13-16H2,1H3/t19?,20?,21-,23?/m1/s1
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n/an/an/an/a 239n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447274
PNG
(CHEMBL3114183)
Show SMILES CC#CC1CN(CCN1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)
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n/an/an/an/a 455n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))		BDBM50447280
PNG
(CHEMBL3113997)
Show SMILES Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H19F6N3O3S/c20-18(21,22)17(29,19(23,24)25)13-4-6-15(7-5-13)27-8-10-28(11-9-27)32(30,31)16-3-1-2-14(26)12-16/h1-7,12,29H,8-11,26H2
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n/an/an/an/a>1.25E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%