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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 5637   
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
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM50056922
PNG
(1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...)
Show SMILES COc1cc(C)c2c(Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC2=O)c1C=O
Show InChI InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3
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Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Yale University School of Medicine



Assay Description
The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...


Chem Biol 19: 875-82 (2012)


Article DOI: 10.1016/j.chembiol.2012.05.013
BindingDB Entry DOI: 10.7270/Q22B8WN0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM29673
PNG
(1,4,10-Trihydroxy-5-hydroxymethyl-8-methyl-3,7-dio...)
Show SMILES Cc1cc(O)c(C=O)c2Oc3c4C(O)OC(=O)c4c(O)c(CO)c3OC(=O)c12
Show InChI InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3
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Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Yale University School of Medicine



Assay Description
The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...


Chem Biol 19: 875-82 (2012)


Article DOI: 10.1016/j.chembiol.2012.05.013
BindingDB Entry DOI: 10.7270/Q22B8WN0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM50056939
PNG
(4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...)
Show SMILES COc1cc(C(O)=O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Yale University School of Medicine



Assay Description
The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...


Chem Biol 19: 875-82 (2012)


Article DOI: 10.1016/j.chembiol.2012.05.013
BindingDB Entry DOI: 10.7270/Q22B8WN0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM29674
PNG
(Reduced stictic acid, 8)
Show SMILES COc1cc(C)c2c(Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC2=O)c1CO
Show InChI InChI=1S/C19H16O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4,19-21,24H,5H2,1-3H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Yale University School of Medicine



Assay Description
The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...


Chem Biol 19: 875-82 (2012)


Article DOI: 10.1016/j.chembiol.2012.05.013
BindingDB Entry DOI: 10.7270/Q22B8WN0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Yale University School of Medicine



Assay Description
The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...


Chem Biol 19: 875-82 (2012)


Article DOI: 10.1016/j.chembiol.2012.05.013
BindingDB Entry DOI: 10.7270/Q22B8WN0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM29678
PNG
(Reduced parellic acid, 9)
Show SMILES COc1cc(C(O)=O)c2Oc3c(CO)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C18H16O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-5,19-20H,6H2,1-3H3,(H,21,22)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Yale University School of Medicine



Assay Description
The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...


Chem Biol 19: 875-82 (2012)


Article DOI: 10.1016/j.chembiol.2012.05.013
BindingDB Entry DOI: 10.7270/Q22B8WN0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM92359
PNG
(Gangleoidin, 4)
Show SMILES COc1cc2OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3Oc2c(C)c1C(O)=O
Show InChI InChI=1S/C17H12Cl2O7/c1-5-10-15(12(19)13(20)11(5)18)26-14-6(2)9(16(21)22)7(24-3)4-8(14)25-17(10)23/h4,20H,1-3H3,(H,21,22)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Yale University School of Medicine



Assay Description
The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou...


Chem Biol 19: 875-82 (2012)


Article DOI: 10.1016/j.chembiol.2012.05.013
BindingDB Entry DOI: 10.7270/Q22B8WN0
More data for this
Ligand-Target Pair