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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 10491,4164   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase type IV


(Homo sapiens (Human))
BDBM50165031
PNG
(6-({3-isopropoxy-5-[2-(3-thienyl)ethoxy]benzoyl}am...)
Show SMILES CC(C)Oc1cc(OCCc2ccsc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C22H22N2O5S/c1-14(2)29-19-10-17(9-18(11-19)28-7-5-15-6-8-30-13-15)21(25)24-20-4-3-16(12-23-20)22(26)27/h3-4,6,8-14H,5,7H2,1-2H3,(H,26,27)(H,23,24,25)
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n/an/an/a 170n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 at 100 uM by isothermal titration calorimet...


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More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50248442
PNG
(2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...)
Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1
Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)
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n/an/an/a 440n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 at 11 uM by isothermal titration calorimetr...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50346020
PNG
((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)/t16-/m1/s1
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Article
n/an/an/a 500n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 by isothermal titration calorimetry in pres...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)