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Compile Data Set for Download or QSAR

Found 869 hits of affinity data for UniProtKB/TrEMBL: P35557   
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 type IV


(Homo sapiens (Human))
BDBM50300196
PNG
(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)
Show SMILES Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
Show InChI InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)
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PubMed
340.0n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GCK


J Med Chem 52: 7938-41 (2009)

corrected by BindingDB staff
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054107
PNG
(CHEMBL3319533)
Show SMILES Cn1cc(cn1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21F6N7O3S/c1-32-12-13(9-31-32)16-8-14(19(35,20(22,23)24)21(25,26)27)10-30-18(16)33-4-6-34(7-5-33)38(36,37)15-2-3-17(28)29-11-15/h2-3,8-12,35H,4-7H2,1H3,(H2,28,29)
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n/an/a 1.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 2.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 4.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054052
PNG
(CHEMBL3319549)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cccnc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H20F6N6O3S/c23-21(24,25)20(35,22(26,27)28)15-10-17(14-2-1-5-30-11-14)19(32-12-15)33-6-8-34(9-7-33)38(36,37)16-3-4-18(29)31-13-16/h1-5,10-13,35H,6-9H2,(H2,29,31)
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n/an/a 5.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053952
PNG
(CHEMBL3319529)
Show SMILES COCC#Cc1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21F6N5O4S/c1-36-10-2-3-14-11-15(19(33,20(22,23)24)21(25,26)27)12-30-18(14)31-6-8-32(9-7-31)37(34,35)16-4-5-17(28)29-13-16/h4-5,11-13,33H,6-10H2,1H3,(H2,28,29)
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n/an/a 5.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054106
PNG
(CHEMBL3319534)
Show SMILES CCn1cc(cn1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H23F6N7O3S/c1-2-34-13-14(10-32-34)17-9-15(20(36,21(23,24)25)22(26,27)28)11-31-19(17)33-5-7-35(8-6-33)39(37,38)16-3-4-18(29)30-12-16/h3-4,9-13,36H,2,5-8H2,1H3,(H2,29,30)
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n/an/a 5.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054097
PNG
(CHEMBL3319540)
Show SMILES Cc1csc(c1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H21F6N5O3S2/c1-13-8-17(37-12-13)16-9-14(20(34,21(23,24)25)22(26,27)28)10-31-19(16)32-4-6-33(7-5-32)38(35,36)15-2-3-18(29)30-11-15/h2-3,8-12,34H,4-7H2,1H3,(H2,29,30)
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n/an/a 5.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 6.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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 6.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054057
PNG
(CHEMBL3319544)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccccc1O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F6N5O4S/c24-22(25,26)21(36,23(27,28)29)14-11-17(16-3-1-2-4-18(16)35)20(32-12-14)33-7-9-34(10-8-33)39(37,38)15-5-6-19(30)31-13-15/h1-6,11-13,35-36H,7-10H2,(H2,30,31)
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n/an/a 6.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054063
PNG
(CHEMBL3319542)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccccc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H20F7N5O3S/c24-18-4-2-1-3-16(18)17-11-14(21(36,22(25,26)27)23(28,29)30)12-33-20(17)34-7-9-35(10-8-34)39(37,38)15-5-6-19(31)32-13-15/h1-6,11-13,36H,7-10H2,(H2,31,32)
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n/an/a 7.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054094
PNG
(CHEMBL3319541)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F6N5O3S/c24-22(25,26)21(35,23(27,28)29)16-12-18(15-4-2-1-3-5-15)20(32-13-16)33-8-10-34(11-9-33)38(36,37)17-6-7-19(30)31-14-17/h1-7,12-14,35H,8-11H2,(H2,30,31)
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n/an/a 7.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 7.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054059
PNG
(CHEMBL3319543)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cccc(F)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H20F7N5O3S/c24-16-3-1-2-14(10-16)18-11-15(21(36,22(25,26)27)23(28,29)30)12-33-20(18)34-6-8-35(9-7-34)39(37,38)17-4-5-19(31)32-13-17/h1-5,10-13,36H,6-9H2,(H2,31,32)
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n/an/a 8.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 9.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053983
PNG
(CHEMBL3319551)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cncc(F)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19F7N6O3S/c23-15-7-13(9-31-11-15)17-8-14(20(36,21(24,25)26)22(27,28)29)10-33-19(17)34-3-5-35(6-4-34)39(37,38)16-1-2-18(30)32-12-16/h1-2,7-12,36H,3-6H2,(H2,30,32)
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n/an/a 11.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054058
PNG
(CHEMBL3317472)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H20F7N5O3S/c24-16-3-1-14(2-4-16)18-11-15(21(36,22(25,26)27)23(28,29)30)12-33-20(18)34-7-9-35(10-8-34)39(37,38)17-5-6-19(31)32-13-17/h1-6,11-13,36H,7-10H2,(H2,31,32)
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n/an/a 11.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 14.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053951
PNG
(CHEMBL3319528)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1C#CCO)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O4S/c21-19(22,23)18(33,20(24,25)26)14-10-13(2-1-9-32)17(29-11-14)30-5-7-31(8-6-30)36(34,35)15-3-4-16(27)28-12-15/h3-4,10-12,32-33H,5-9H2,(H2,27,28)
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n/an/a 14.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053971
PNG
(CHEMBL3319559)
Show SMILES Cc1nc2cc(ccc2o1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H22F6N6O4S/c1-14-35-19-10-15(2-4-20(19)41-14)18-11-16(23(38,24(26,27)28)25(29,30)31)12-34-22(18)36-6-8-37(9-7-36)42(39,40)17-3-5-21(32)33-13-17/h2-5,10-13,38H,6-9H2,1H3,(H2,32,33)
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n/an/a 15.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 16.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053978
PNG
(CHEMBL3319554)
Show SMILES COc1ccc(cn1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N6O4S/c1-39-19-5-2-14(11-32-19)17-10-15(21(36,22(24,25)26)23(27,28)29)12-33-20(17)34-6-8-35(9-7-34)40(37,38)16-3-4-18(30)31-13-16/h2-5,10-13,36H,6-9H2,1H3,(H2,30,31)
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n/an/a 16.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053977
PNG
(CHEMBL3319555)
Show SMILES COc1cncc(c1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N6O4S/c1-39-16-8-14(10-31-12-16)18-9-15(21(36,22(24,25)26)23(27,28)29)11-33-20(18)34-4-6-35(7-5-34)40(37,38)17-2-3-19(30)32-13-17/h2-3,8-13,36H,4-7H2,1H3,(H2,30,32)
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n/an/a 17.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053954
PNG
(CHEMBL3319531)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1C#CCCO)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21F6N5O4S/c22-20(23,24)19(34,21(25,26)27)15-11-14(3-1-2-10-33)18(30-12-15)31-6-8-32(9-7-31)37(35,36)16-4-5-17(28)29-13-16/h4-5,11-13,33-34H,2,6-10H2,(H2,28,29)
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n/an/a 17.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054099
PNG
(CHEMBL3319539)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccoc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6N5O4S/c22-20(23,24)19(33,21(25,26)27)14-9-16(13-3-8-36-12-13)18(30-10-14)31-4-6-32(7-5-31)37(34,35)15-1-2-17(28)29-11-15/h1-3,8-12,33H,4-7H2,(H2,28,29)
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n/an/a 19.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053974
PNG
(CHEMBL3319558)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2ocnc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H20F6N6O4S/c25-23(26,27)22(37,24(28,29)30)15-10-17(14-1-3-19-18(9-14)34-13-40-19)21(33-11-15)35-5-7-36(8-6-35)41(38,39)16-2-4-20(31)32-12-16/h1-4,9-13,37H,5-8H2,(H2,31,32)
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n/an/a 20.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053966
PNG
(CHEMBL3319560)
Show SMILES CN1C(=O)Cc2cc(ccc12)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F6N6O4S/c1-36-20-4-2-15(10-16(20)11-22(36)39)19-12-17(24(40,25(27,28)29)26(30,31)32)13-35-23(19)37-6-8-38(9-7-37)43(41,42)18-3-5-21(33)34-14-18/h2-5,10,12-14,40H,6-9,11H2,1H3,(H2,33,34)
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n/an/a 20.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054053
PNG
(CHEMBL3319548)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccncc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H20F6N6O3S/c23-21(24,25)20(35,22(26,27)28)15-11-17(14-3-5-30-6-4-14)19(32-12-15)33-7-9-34(10-8-33)38(36,37)16-1-2-18(29)31-13-16/h1-6,11-13,35H,7-10H2,(H2,29,31)
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n/an/a 21.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054104
PNG
(CHEMBL3319535)
Show SMILES CC(C)n1cc(cn1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H25F6N7O3S/c1-14(2)36-13-15(10-33-36)18-9-16(21(37,22(24,25)26)23(27,28)29)11-32-20(18)34-5-7-35(8-6-34)40(38,39)17-3-4-19(30)31-12-17/h3-4,9-14,37H,5-8H2,1-2H3,(H2,30,31)
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n/an/a 23.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054051
PNG
(CHEMBL3319550)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cnccc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19F7N6O3S/c23-17-3-4-31-12-16(17)15-9-13(20(36,21(24,25)26)22(27,28)29)10-33-19(15)34-5-7-35(8-6-34)39(37,38)14-1-2-18(30)32-11-14/h1-4,9-12,36H,5-8H2,(H2,30,32)
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n/an/a 24.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 25.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 26.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053957
PNG
(CHEMBL3319564)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cc2ccccc2[nH]1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H22F6N6O3S/c26-24(27,28)23(38,25(29,30)31)16-12-18(20-11-15-3-1-2-4-19(15)35-20)22(34-13-16)36-7-9-37(10-8-36)41(39,40)17-5-6-21(32)33-14-17/h1-6,11-14,35,38H,7-10H2,(H2,32,33)
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n/an/a 27.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053982
PNG
(CHEMBL3319552)
Show SMILES Cc1cncc(c1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N6O3S/c1-14-8-15(11-31-10-14)18-9-16(21(36,22(24,25)26)23(27,28)29)12-33-20(18)34-4-6-35(7-5-34)39(37,38)17-2-3-19(30)32-13-17/h2-3,8-13,36H,4-7H2,1H3,(H2,30,32)
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n/an/a 29.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053969
PNG
(CHEMBL3319561)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2NC(=O)Cc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H22F6N6O4S/c26-24(27,28)23(39,25(29,30)31)16-11-18(14-1-3-19-15(9-14)10-21(38)35-19)22(34-12-16)36-5-7-37(8-6-36)42(40,41)17-2-4-20(32)33-13-17/h1-4,9,11-13,39H,5-8,10H2,(H2,32,33)(H,35,38)
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n/an/a 33.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053950
PNG
(CHEMBL3319527)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1C#CC1CC1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H21F6N5O3S/c23-21(24,25)20(34,22(26,27)28)16-11-15(4-3-14-1-2-14)19(31-12-16)32-7-9-33(10-8-32)37(35,36)17-5-6-18(29)30-13-17/h5-6,11-14,34H,1-2,7-10H2,(H2,29,30)
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n/an/a 33.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053975
PNG
(CHEMBL3319557)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2scnc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H20F6N6O3S2/c25-23(26,27)22(37,24(28,29)30)15-10-17(14-1-3-19-18(9-14)34-13-40-19)21(33-11-15)35-5-7-36(8-6-35)41(38,39)16-2-4-20(31)32-12-16/h1-4,9-13,37H,5-8H2,(H2,31,32)
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n/an/a 35.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053979
PNG
(CHEMBL3319553)
Show SMILES Cc1ccc(cn1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N6O3S/c1-14-2-3-15(11-31-14)18-10-16(21(36,22(24,25)26)23(27,28)29)12-33-20(18)34-6-8-35(9-7-34)39(37,38)17-4-5-19(30)32-13-17/h2-5,10-13,36H,6-9H2,1H3,(H2,30,32)
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n/an/a 40.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054101
PNG
(CHEMBL3319537)
Show SMILES Cc1c(cnn1C)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H23F6N7O3S/c1-13-17(12-32-33(13)2)16-9-14(20(36,21(23,24)25)22(26,27)28)10-31-19(16)34-5-7-35(8-6-34)39(37,38)15-3-4-18(29)30-11-15/h3-4,9-12,36H,5-8H2,1-2H3,(H2,29,30)
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n/an/a 40.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054054
PNG
(CHEMBL3319547)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23F6N5O5S2/c1-41(37,38)17-4-2-15(3-5-17)19-12-16(22(36,23(25,26)27)24(28,29)30)13-33-21(19)34-8-10-35(11-9-34)42(39,40)18-6-7-20(31)32-14-18/h2-7,12-14,36H,8-11H2,1H3,(H2,31,32)
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n/an/a 42.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 44.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053976
PNG
(CHEMBL3319556)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2sccc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H21F6N5O3S2/c26-24(27,28)23(37,25(29,30)31)17-12-19(15-1-3-20-16(11-15)5-10-40-20)22(34-13-17)35-6-8-36(9-7-35)41(38,39)18-2-4-21(32)33-14-18/h1-5,10-14,37H,6-9H2,(H2,32,33)
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n/an/a 47.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053958
PNG
(CHEMBL3319565)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cc2ccccc2s1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H21F6N5O3S2/c26-24(27,28)23(37,25(29,30)31)16-12-18(20-11-15-3-1-2-4-19(15)40-20)22(34-13-16)35-7-9-36(10-8-35)41(38,39)17-5-6-21(32)33-14-17/h1-6,11-14,37H,7-10H2,(H2,32,33)
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n/an/a 48.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053953
PNG
(CHEMBL3319530)
Show SMILES CC(C)(O)C#Cc1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H23F6N5O4S/c1-19(2,34)6-5-14-11-15(20(35,21(23,24)25)22(26,27)28)12-31-18(14)32-7-9-33(10-8-32)38(36,37)16-3-4-17(29)30-13-16/h3-4,11-13,34-35H,7-10H2,1-2H3,(H2,29,30)
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n/an/a 49.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50054055
PNG
(CHEMBL3319546)
Show SMILES NC(=O)c1cccc(c1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H22F6N6O4S/c25-23(26,27)22(38,24(28,29)30)16-11-18(14-2-1-3-15(10-14)20(32)37)21(34-12-16)35-6-8-36(9-7-35)41(39,40)17-4-5-19(31)33-13-17/h1-5,10-13,38H,6-9H2,(H2,31,33)(H2,32,37)
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n/an/a 50.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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
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 56.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(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 56.0n/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)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
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n/an/a 60.0n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GCK


J Med Chem 55: 4580-93 (2012)

More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50053955
PNG
(CHEMBL3319562)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2[nH]ncc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F6N7O3S/c25-23(26,27)22(38,24(28,29)30)16-10-18(14-1-3-19-15(9-14)11-34-35-19)21(33-12-16)36-5-7-37(8-6-36)41(39,40)17-2-4-20(31)32-13-17/h1-4,9-13,38H,5-8H2,(H2,31,32)(H,34,35)
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n/an/a 60.0n/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 compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)

More data for this
Ligand-Target Pair
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