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Compile Data Set for Download or QSAR

Found 35 hits of ic50 data for complexid = 50000755   
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
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
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n/an/a 16n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 200n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 300n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 300n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
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n/an/a 400n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072154
PNG
(2,3-Bis-[1-amino-1-(2-hydroxy-phenylsulfanyl)-meth...)
Show SMILES Oc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1O
Show InChI InChI=1S/C18H14N4O2S2/c19-9-11(17(21)25-15-7-3-1-5-13(15)23)12(10-20)18(22)26-16-8-4-2-6-14(16)24/h1-8,11-12,21-24H
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n/an/a 400n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 500n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072163
PNG
(2,3-Bis-[1-amino-1-(thiophen-2-ylsulfanyl)-meth-(Z...)
Show SMILES N=C(Sc1cccs1)C(C#N)C(C#N)C(=N)Sc1cccs1
Show InChI InChI=1S/C14H10N4S4/c15-7-9(13(17)21-11-3-1-5-19-11)10(8-16)14(18)22-12-4-2-6-20-12/h1-6,9-10,17-18H
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n/an/a 1.20E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MEK


J Med Chem 47: 6658-61 (2004)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072159
PNG
(2,3-Bis-[1-amino-1-(2,6-dichloro-phenylsulfanyl)-m...)
Show SMILES Clc1cccc(Cl)c1SC(=N)C(C#N)C(C#N)C(=N)Sc1c(Cl)cccc1Cl
Show InChI InChI=1S/C18H10Cl4N4S2/c19-11-3-1-4-12(20)15(11)27-17(25)9(7-23)10(8-24)18(26)28-16-13(21)5-2-6-14(16)22/h1-6,9-10,25-26H
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n/an/a 6.50E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072162
PNG
(2,3-Bis-[1-amino-1-(2-chloro-phenylsulfanyl)-meth-...)
Show SMILES Clc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1Cl
Show InChI InChI=1S/C18H12Cl2N4S2/c19-13-5-1-3-7-15(13)25-17(23)11(9-21)12(10-22)18(24)26-16-8-4-2-6-14(16)20/h1-8,11-12,23-24H
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n/an/a 6.60E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072156
PNG
(2,3-Bis-[1-amino-1-(2-fluoro-phenylsulfanyl)-meth-...)
Show SMILES Fc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1F
Show InChI InChI=1S/C18H12F2N4S2/c19-13-5-1-3-7-15(13)25-17(23)11(9-21)12(10-22)18(24)26-16-8-4-2-6-14(16)20/h1-8,11-12,23-24H
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n/an/a 7.60E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072150
PNG
(2,3-Bis-[1-amino-1-(2-bromo-phenylsulfanyl)-meth-(...)
Show SMILES Brc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1Br
Show InChI InChI=1S/C18H12Br2N4S2/c19-13-5-1-3-7-15(13)25-17(23)11(9-21)12(10-22)18(24)26-16-8-4-2-6-14(16)20/h1-8,11-12,23-24H
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n/an/a 7.90E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072146
PNG
(CHEMBL316635 | N-[3,4-Dicyano-5-(naphthalen-2-ylsu...)
Show SMILES O=S(=O)(Nc1[nH]c(Sc2ccc3ccccc3c2)c(C#N)c1C#N)c1ccccc1
Show InChI InChI=1S/C22H14N4O2S2/c23-13-19-20(14-24)22(29-17-11-10-15-6-4-5-7-16(15)12-17)25-21(19)26-30(27,28)18-8-2-1-3-9-18/h1-12,25-26H
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n/an/a 8.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50099963
PNG
(CHEMBL30432 | N*4*-(1-Benzyl-1H-indazol-5-yl)-N*6*...)
Show SMILES CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
Show InChI InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Research Biomet. Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of erbB2 overexpressing BT 474 cell proliferation


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072151
PNG
(2,3-Bis-[1-amino-1-(4-amino-phenylsulfanyl)-meth-(...)
Show SMILES Nc1ccc(SC(=N)C(C#N)C(C#N)C(=N)Sc2ccc(N)cc2)cc1
Show InChI InChI=1S/C18H16N6S2/c19-9-15(17(23)25-13-5-1-11(21)2-6-13)16(10-20)18(24)26-14-7-3-12(22)4-8-14/h1-8,15-16,23-24H,21-22H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072164
PNG
(2,3-Bis-[1-amino-1-phenylsulfanyl-meth-(Z)-ylidene...)
Show SMILES N=C(Sc1ccccc1)C(C#N)C(C#N)C(=N)Sc1ccccc1
Show InChI InChI=1S/C18H14N4S2/c19-11-15(17(21)23-13-7-3-1-4-8-13)16(12-20)18(22)24-14-9-5-2-6-10-14/h1-10,15-16,21-22H
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n/an/a 1.22E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072161
PNG
(2,3-Bis-[1-amino-1-o-tolylsulfanyl-meth-(Z)-yliden...)
Show SMILES Cc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1C
Show InChI InChI=1S/C20H18N4S2/c1-13-7-3-5-9-17(13)25-19(23)15(11-21)16(12-22)20(24)26-18-10-6-4-8-14(18)2/h3-10,15-16,23-24H,1-2H3
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n/an/a 1.33E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072155
PNG
(2,3-Bis-[1-amino-1-(2-methoxy-phenylsulfanyl)-meth...)
Show SMILES COc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1OC
Show InChI InChI=1S/C20H18N4O2S2/c1-25-15-7-3-5-9-17(15)27-19(23)13(11-21)14(12-22)20(24)28-18-10-6-4-8-16(18)26-2/h3-10,13-14,23-24H,1-2H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of the dual specificity kinase MEK-1


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM237225
PNG
(1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...)
Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Br)cc2)ccc1O
Show InChI InChI=1S/C21H19BrN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Nanjing University



Assay Description
Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...


J Enzyme Inhib Med Chem 27: 708-14 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072149
PNG
(2,3-Bis-[1-amino-1-(3-amino-phenylsulfanyl)-meth-(...)
Show SMILES Nc1cccc(SC(=N)C(C#N)C(C#N)C(=N)Sc2cccc(N)c2)c1
Show InChI InChI=1S/C18H16N6S2/c19-9-15(17(23)25-13-5-1-3-11(21)7-13)16(10-20)18(24)26-14-6-2-4-12(22)8-14/h1-8,15-16,23-24H,21-22H2
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n/an/a 1.81E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072157
PNG
(2,3-Bis-[1-amino-1-(3-chloro-phenylsulfanyl)-meth-...)
Show SMILES Clc1cccc(SC(=N)C(C#N)C(C#N)C(=N)Sc2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H12Cl2N4S2/c19-11-3-1-5-13(7-11)25-17(23)15(9-21)16(10-22)18(24)26-14-6-2-4-12(20)8-14/h1-8,15-16,23-24H
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n/an/a 1.84E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072165
PNG
(2-[1-Amino-1-(2-amino-phenylsulfanyl)-meth-(Z)-yli...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)c1nc2ccccc2s1
Show InChI InChI=1S/C18H13N5S2/c19-9-11(17(22)24-15-7-3-1-5-13(15)21)12(10-20)18-23-14-6-2-4-8-16(14)25-18/h1-8,11-12,22H,21H2
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n/an/a 1.87E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM237224
PNG
(1-(4-Chlorophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3...)
Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C21H19ClN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Nanjing University



Assay Description
Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...


J Enzyme Inhib Med Chem 27: 708-14 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072152
PNG
(2,3-Bis-[1-amino-1-(4-chloro-phenylsulfanyl)-meth-...)
Show SMILES Clc1ccc(SC(=N)C(C#N)C(C#N)C(=N)Sc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H12Cl2N4S2/c19-11-1-5-13(6-2-11)25-17(23)15(9-21)16(10-22)18(24)26-14-7-3-12(20)4-8-14/h1-8,15-16,23-24H
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n/an/a 2.17E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 2.48E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM237214
PNG
(1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...)
Show SMILES COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(Br)cc2)ccc1O
Show InChI InChI=1S/C21H19BrN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Nanjing University



Assay Description
Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...


J Enzyme Inhib Med Chem 27: 708-14 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM237222
PNG
(1-(4-Hydroxy-3-methoxybenzyl)-1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)N(Cc1ccc(O)c(OC)c1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C22H22N2O3S/c1-26-19-11-9-18(10-12-19)24(22(28)23-17-6-4-3-5-7-17)15-16-8-13-20(25)21(14-16)27-2/h3-14,25H,15H2,1-2H3,(H,23,28)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Nanjing University



Assay Description
Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...


J Enzyme Inhib Med Chem 27: 708-14 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM237223
PNG
(1-(4-Fluorophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3...)
Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(F)cc2)ccc1O
Show InChI InChI=1S/C21H19FN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)
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Nanjing University



Assay Description
Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...


J Enzyme Inhib Med Chem 27: 708-14 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072144
PNG
(2-Amino-5-(naphthalen-2-ylsulfanyl)-1H-pyrrole-3,4...)
Show SMILES Nc1[nH]c(Sc2ccc3ccccc3c2)c(C#N)c1C#N
Show InChI InChI=1S/C16H10N4S/c17-8-13-14(9-18)16(20-15(13)19)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,20H,19H2
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n/an/a 2.51E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072145
PNG
(2-Amino-5-(2-amino-phenylsulfanyl)-1H-pyrrole-3,4-...)
Show SMILES Nc1[nH]c(Sc2ccccc2N)c(C#N)c1C#N
Show InChI InChI=1S/C12H9N5S/c13-5-7-8(6-14)12(17-11(7)16)18-10-4-2-1-3-9(10)15/h1-4,17H,15-16H2
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n/an/a 2.62E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072160
PNG
(2,5-Bis-(naphthalen-2-ylsulfanyl)-1H-pyrrole-3,4-d...)
Show SMILES N#Cc1c(Sc2ccc3ccccc3c2)[nH]c(Sc2ccc3ccccc3c2)c1C#N
Show InChI InChI=1S/C26H15N3S2/c27-15-23-24(16-28)26(31-22-12-10-18-6-2-4-8-20(18)14-22)29-25(23)30-21-11-9-17-5-1-3-7-19(17)13-21/h1-14,29H
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n/an/a 2.89E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens (Human))
BDBM50072148
PNG
(2,3-Bis-[3H-benzothiazol-(2Z)-ylidene]-succinonitr...)
Show SMILES N#CC(C(C#N)c1nc2ccccc2s1)c1nc2ccccc2s1
Show InChI InChI=1S/C18H10N4S2/c19-9-11(17-21-13-5-1-3-7-15(13)23-17)12(10-20)18-22-14-6-2-4-8-16(14)24-18/h1-8,11-12H
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n/an/a 4.25E+4n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair