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Compile Data Set for Download or QSAR

Found 74 hits of ec50 data for polymerid = 1747   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420692
PNG
(CHEMBL2087076)
Show SMILES OCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-9(18)1-3-14(12)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)
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n/an/an/an/a 0.200n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420692
PNG
(CHEMBL2087076)
Show SMILES OCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-9(18)1-3-14(12)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)
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n/an/an/an/a 0.400n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420696
PNG
(CHEMBL2087080)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C17H16FIN4O4/c18-13-5-9(19)1-3-15(13)21-16-11(2-4-14-12(16)6-20-22-14)17(26)23-27-8-10(25)7-24/h1-6,10,21,24-25H,7-8H2,(H,20,22)(H,23,26)/t10-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420701
PNG
(CHEMBL2087461)
Show SMILES OCCONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23)
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n/an/an/an/a 0.600n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420701
PNG
(CHEMBL2087461)
Show SMILES OCCONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23)
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n/an/an/an/a 0.900n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420702
PNG
(CHEMBL2087462)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C17H15FIN3O4S/c18-13-5-10(19)2-4-14(13)21-15-12(3-1-9-6-20-27-16(9)15)17(25)22-26-8-11(24)7-23/h1-6,11,21,23-24H,7-8H2,(H,22,25)/t11-/m1/s1
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n/an/an/an/a 0.900n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420702
PNG
(CHEMBL2087462)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C17H15FIN3O4S/c18-13-5-10(19)2-4-14(13)21-15-12(3-1-9-6-20-27-16(9)15)17(25)22-26-8-11(24)7-23/h1-6,11,21,23-24H,7-8H2,(H,22,25)/t11-/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420698
PNG
(CHEMBL2087082)
Show SMILES CCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23)
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n/an/an/an/a 1.30n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420697
PNG
(CHEMBL2087081)
Show SMILES Fc1cc(I)ccc1Nc1c(ccc2[nH]ncc12)C(=O)NOCC1CC1
Show InChI InChI=1S/C18H16FIN4O2/c19-14-7-11(20)3-5-16(14)22-17-12(4-6-15-13(17)8-21-23-15)18(25)24-26-9-10-1-2-10/h3-8,10,22H,1-2,9H2,(H,21,23)(H,24,25)
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n/an/an/an/a 1.5n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420697
PNG
(CHEMBL2087081)
Show SMILES Fc1cc(I)ccc1Nc1c(ccc2[nH]ncc12)C(=O)NOCC1CC1
Show InChI InChI=1S/C18H16FIN4O2/c19-14-7-11(20)3-5-16(14)22-17-12(4-6-15-13(17)8-21-23-15)18(25)24-26-9-10-1-2-10/h3-8,10,22H,1-2,9H2,(H,21,23)(H,24,25)
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n/an/an/an/a 1.5n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420698
PNG
(CHEMBL2087082)
Show SMILES CCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H14FIN4O2/c1-2-24-22-16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,2H2,1H3,(H,19,21)(H,22,23)
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n/an/an/an/a 2.40n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420695
PNG
(CHEMBL2087079)
Show SMILES OCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(Br)cc1F
Show InChI InChI=1S/C16H14BrFN4O3/c17-9-1-3-14(12(18)7-9)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)
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n/an/an/an/a 3.40n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420696
PNG
(CHEMBL2087080)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C17H16FIN4O4/c18-13-5-9(19)1-3-15(13)21-16-11(2-4-14-12(16)6-20-22-14)17(26)23-27-8-10(25)7-24/h1-6,10,21,24-25H,7-8H2,(H,20,22)(H,23,26)/t10-/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420694
PNG
(CHEMBL2087078)
Show SMILES C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420693
PNG
(CHEMBL2087077)
Show SMILES OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1
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n/an/an/an/a 6.30n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420695
PNG
(CHEMBL2087079)
Show SMILES OCCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(Br)cc1F
Show InChI InChI=1S/C16H14BrFN4O3/c17-9-1-3-14(12(18)7-9)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)
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n/an/an/an/a 6.40n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420694
PNG
(CHEMBL2087078)
Show SMILES C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1
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n/an/an/an/a 7.20n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194056
PNG
(5-3-chloro-4-2,3-dichlorophenoxy)phenylamino)-3-hy...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)s[nH]c1=O
Show InChI InChI=1S/C19H17Cl3N4O3S/c1-9(8-27)24-17(23)15-18(28)26-30-19(15)25-10-5-6-13(12(21)7-10)29-14-4-2-3-11(20)16(14)22/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28)
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n/an/an/an/a>10n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194036
PNG
(5-3-chloro-4-2-chloro-5-fluorophenoxy)phenylamino)...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)c(Cl)c2)s[nH]c1=O
Show InChI InChI=1S/C19H17Cl2FN4O3S/c1-9(8-27)24-17(23)16-18(28)26-30-19(16)25-11-3-5-14(13(21)7-11)29-15-6-10(22)2-4-12(15)20/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28)
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n/an/an/an/a>10n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194026
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-N-3,4-dihydro...)
Show SMILES NC(=NCCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C20H20Cl2N4O4S/c21-11-1-6-15(22)16(9-11)30-14-4-2-12(3-5-14)25-20-17(19(29)26-31-20)18(23)24-8-7-13(28)10-27/h1-6,9,13,25,27-28H,7-8,10H2,(H2,23,24)(H,26,29)
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n/an/an/an/a 22n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194067
PNG
(5-4-3-fluoro-5-trifluoromethyl)phenoxy)phenylamino...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(c3)C(F)(F)F)cc2)s[nH]c1=O
Show InChI InChI=1S/C20H18F4N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-13-2-4-14(5-3-13)31-15-7-11(20(22,23)24)6-12(21)8-15/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)
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n/an/an/an/a 30n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50420693
PNG
(CHEMBL2087077)
Show SMILES OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method


J Med Chem 55: 4594-604 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194034
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)
Show SMILES NC(=NCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C22H23Cl2N5O3S/c23-14-1-6-17(24)18(13-14)32-16-4-2-15(3-5-16)27-22-19(21(30)28-33-22)20(25)26-7-8-29-9-11-31-12-10-29/h1-6,13,27H,7-12H2,(H2,25,26)(H,28,30)
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n/an/an/an/a 35n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194027
PNG
(5-3-chloro-4-2-chloro-4-fluorophenoxy)phenylamino)...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)c(Cl)c2)s[nH]c1=O
Show InChI InChI=1S/C19H17Cl2FN4O3S/c1-9(8-27)24-17(23)16-18(28)26-30-19(16)25-11-3-5-15(13(21)7-11)29-14-4-2-10(22)6-12(14)20/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28)
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n/an/an/an/a 37n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/an/an/a 42n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194053
PNG
(5-4-2,3-difluorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(F)c3F)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H18F2N4O3S/c1-10(9-26)23-17(22)15-18(27)25-29-19(15)24-11-5-7-12(8-6-11)28-14-4-2-3-13(20)16(14)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/an/an/a 42n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194025
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)
Show SMILES NC(=NCCN1CCNCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C22H24Cl2N6O2S/c23-14-1-6-17(24)18(13-14)32-16-4-2-15(3-5-16)28-22-19(21(31)29-33-22)20(25)27-9-12-30-10-7-26-8-11-30/h1-6,13,26,28H,7-12H2,(H2,25,27)(H,29,31)
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n/an/an/an/a 43n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
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n/an/an/an/a 45n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194028
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)
Show SMILES NC(=NCCO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C18H16Cl2N4O3S/c19-10-1-6-13(20)14(9-10)27-12-4-2-11(3-5-12)23-18-15(17(26)24-28-18)16(21)22-7-8-25/h1-6,9,23,25H,7-8H2,(H2,21,22)(H,24,26)
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n/an/an/an/a 47n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194051
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-m...)
Show SMILES NC(=NN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C20H19Cl2N5O3S/c21-12-1-6-15(22)16(11-12)30-14-4-2-13(3-5-14)24-20-17(19(28)26-31-20)18(23)25-27-7-9-29-10-8-27/h1-6,11,24H,7-10H2,(H2,23,25)(H,26,28)
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n/an/an/an/a 47n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194063
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)
Show SMILES NC(=NCCN1CCNC(=O)C1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C22H22Cl2N6O3S/c23-13-1-6-16(24)17(11-13)33-15-4-2-14(3-5-15)28-22-19(21(32)29-34-22)20(25)27-8-10-30-9-7-26-18(31)12-30/h1-6,11,28H,7-10,12H2,(H2,25,27)(H,26,31)(H,29,32)
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n/an/an/an/a 49n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194055
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-N-2,3-dihydro...)
Show SMILES NC(=NCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H18Cl2N4O4S/c20-10-1-6-14(21)15(7-10)29-13-4-2-11(3-5-13)24-19-16(18(28)25-30-19)17(22)23-8-12(27)9-26/h1-7,12,24,26-27H,8-9H2,(H2,22,23)(H,25,28)
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n/an/an/an/a 54n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194023
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-t...)
Show SMILES NC(=NCC1CCCO1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C21H20Cl2N4O3S/c22-12-3-8-16(23)17(10-12)30-14-6-4-13(5-7-14)26-21-18(20(28)27-31-21)19(24)25-11-15-2-1-9-29-15/h3-8,10,15,26H,1-2,9,11H2,(H2,24,25)(H,27,28)
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n/an/an/an/a 65n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194064
PNG
(5-3-chloro-4-2-chloro-3-trifluoromethyl)phenoxy)ph...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)c(Cl)c2)s[nH]c1=O
Show InChI InChI=1S/C20H17Cl2F3N4O3S/c1-9(8-30)27-17(26)15-18(31)29-33-19(15)28-10-5-6-13(12(21)7-10)32-14-4-2-3-11(16(14)22)20(23,24)25/h2-7,9,28,30H,8H2,1H3,(H2,26,27)(H,29,31)
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n/an/an/an/a 70n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194041
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)
Show SMILES CC(O)CN=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(26)9-23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-8-11(20)2-7-14(15)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/an/an/a 75n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194065
PNG
(5-4-2-chloro-3,5-difluorophenoxy)phenylamino)-3-hy...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H17ClF2N4O3S/c1-9(8-27)24-17(23)15-18(28)26-30-19(15)25-11-2-4-12(5-3-11)29-14-7-10(21)6-13(22)16(14)20/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28)
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n/an/an/an/a 78n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194059
PNG
(5-4-2-chloro-3-trifluoromethyl)phenoxy)-3-fluoroph...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)c(F)c2)s[nH]c1=O
Show InChI InChI=1S/C20H17ClF4N4O3S/c1-9(8-30)27-17(26)15-18(31)29-33-19(15)28-10-5-6-13(12(22)7-10)32-14-4-2-3-11(16(14)21)20(23,24)25/h2-7,9,28,30H,8H2,1H3,(H2,26,27)(H,29,31)
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n/an/an/an/a 88n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194038
PNG
(5-4-2-chloro-3-trifluoromethyl)phenoxy)phenylamino...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)cc2)s[nH]c1=O
Show InChI InChI=1S/C20H18ClF3N4O3S/c1-10(9-29)26-17(25)15-18(30)28-32-19(15)27-11-5-7-12(8-6-11)31-14-4-2-3-13(16(14)21)20(22,23)24/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)
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n/an/an/an/a 95n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194040
PNG
(5-4-2,3-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(Cl)c3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(9-26)23-17(22)15-18(27)25-29-19(15)24-11-5-7-12(8-6-11)28-14-4-2-3-13(20)16(14)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/an/an/a 100n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194047
PNG
(5-4-benzoylphenylamino)-3-hydroxy-N-1-hydroxypropa...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(=O)c2ccccc2)s[nH]c1=O
Show InChI InChI=1S/C20H20N4O3S/c1-12(11-25)22-18(21)16-19(27)24-28-20(16)23-15-9-7-14(8-10-15)17(26)13-5-3-2-4-6-13/h2-10,12,23,25H,11H2,1H3,(H2,21,22)(H,24,27)
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n/an/an/an/a 100n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194031
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-4...)
Show SMILES CN1CCN(CC1)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C21H22Cl2N6O2S/c1-28-8-10-29(11-9-28)26-19(24)18-20(30)27-32-21(18)25-14-3-5-15(6-4-14)31-17-12-13(22)2-7-16(17)23/h2-7,12,25H,8-11H2,1H3,(H2,24,26)(H,27,30)
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n/an/an/an/a 113n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194042
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)
Show SMILES CN1CCN(CCN=C(N)c2c(Nc3ccc(Oc4cc(Cl)ccc4Cl)cc3)s[nH]c2=O)CC1
Show InChI InChI=1S/C23H26Cl2N6O2S/c1-30-10-12-31(13-11-30)9-8-27-21(26)20-22(32)29-34-23(20)28-16-3-5-17(6-4-16)33-19-14-15(24)2-7-18(19)25/h2-7,14,28H,8-13H2,1H3,(H2,26,27)(H,29,32)
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n/an/an/an/a 118n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194045
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-N-1,3-dihydro...)
Show SMILES NC(=NC(CO)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H18Cl2N4O4S/c20-10-1-6-14(21)15(7-10)29-13-4-2-11(3-5-13)24-19-16(18(28)25-30-19)17(22)23-12(8-26)9-27/h1-7,12,24,26-27H,8-9H2,(H2,22,23)(H,25,28)
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n/an/an/an/a 120n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194058
PNG
(5-4-2-fluoro-3-trifluoromethyl)phenoxy)phenylamino...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3F)C(F)(F)F)cc2)s[nH]c1=O
Show InChI InChI=1S/C20H18F4N4O3S/c1-10(9-29)26-17(25)15-18(30)28-32-19(15)27-11-5-7-12(8-6-11)31-14-4-2-3-13(16(14)21)20(22,23)24/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)
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n/an/an/an/a 123n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194032
PNG
(5-4-3,5-difluorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H18F2N4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-13-2-4-14(5-3-13)28-15-7-11(20)6-12(21)8-15/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/an/an/a 128n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194061
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-8-11(20)2-7-14(15)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/an/an/a 130n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194049
PNG
(5-4-3-dimethylamino)phenoxy)phenylamino)-3-hydroxy...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)N(C)C)cc2)s[nH]c1=O
Show InChI InChI=1S/C21H25N5O3S/c1-13(12-27)23-19(22)18-20(28)25-30-21(18)24-14-7-9-16(10-8-14)29-17-6-4-5-15(11-17)26(2)3/h4-11,13,24,27H,12H2,1-3H3,(H2,22,23)(H,25,28)
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n/an/an/an/a 130n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194050
PNG
(5-4-benzylphenylamino)-3-hydroxy-N-1-hydroxypropan...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O
Show InChI InChI=1S/C20H22N4O2S/c1-13(12-25)22-18(21)17-19(26)24-27-20(17)23-16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,13,23,25H,11-12H2,1H3,(H2,21,22)(H,24,26)
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n/an/an/an/a 130n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194057
PNG
(5-4-2,4-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)s[nH]c1=O
Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-7-2-11(20)8-14(15)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/an/an/a 140n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50194016
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-3-trifluorom...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)s[nH]c1=O
Show InChI InChI=1S/C20H19F3N4O3S/c1-11(10-28)25-17(24)16-18(29)27-31-19(16)26-13-5-7-14(8-6-13)30-15-4-2-3-12(9-15)20(21,22)23/h2-9,11,26,28H,10H2,1H3,(H2,24,25)(H,27,29)
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n/an/an/an/a 140n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)

More data for this
Ligand-Target Pair
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