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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glycerol kinase' AND taxid = 9606   
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
Glycerol kinase


(Homo sapiens)
BDBM50366482
PNG
(CHEMBL608908)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H16F2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-1-4-6(19)7(20)10(29-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10?/m1/s1
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Article
8.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)


Citation and Details
More data for this
Ligand-Target Pair
Glycerol kinase


(Homo sapiens)
BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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Article
2.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)


Citation and Details
More data for this
Ligand-Target Pair
Glycerol kinase


(Homo sapiens)
BDBM18135
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
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Article
3.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)


Citation and Details
More data for this
Ligand-Target Pair
Glycerol kinase


(Homo sapiens)
BDBM18134
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
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Article
9.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)


Citation and Details
More data for this
Ligand-Target Pair
Glycerol kinase


(Homo sapiens)
BDBM50366481
PNG
(CHEMBL606431)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)C[As](O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H18AsN5O12P2/c13-9-6-10(15-3-14-9)17(4-16-6)11-8(19)7(18)5(28-11)1-27-31(25,26)29-30(23,24)2-12(20,21)22/h3-5,7-8,11,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11?/m1/s1
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Article
2.90E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)


Citation and Details
More data for this
Ligand-Target Pair