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PubMed code 16934458

Compile data set for download or QSAR
Found 124 hits of Enzyme Inhibition Constant Data   
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
Serine/threonine-protein kinase CHK2


(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 |w:4.3|
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/a 13n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CHK2


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194048
PNG
(5-4-3,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18Cl2N4O3S/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/a 20n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 20n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 26n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194030
PNG
(5-4-2,5-dichlorophenoxy)-3-fluorophenylamino)-3-hy...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)s[nH]c1=O |w:4.3|
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(22)7-11)29-15-6-10(20)2-4-12(15)21/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28)
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n/an/a 26n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194039
PNG
(5-4-2-chloro-3,5-difluorophenoxy)-3-fluorophenylam...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3Cl)c(F)c2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H16ClF3N4O3S/c1-8(7-28)25-17(24)15-18(29)27-31-19(15)26-10-2-3-13(11(22)6-10)30-14-5-9(21)4-12(23)16(14)20/h2-6,8,26,28H,7H2,1H3,(H2,24,25)(H,27,29)
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n/an/a 27n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
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 |w:4.3|
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/a 27n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 28n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 30n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 30n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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/a 32n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 33n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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/a 34n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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/a 34n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:7.7|
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/a 34n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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/a 35n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 37n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187848
PNG
(5-(2,3-dichlorophenylamino)-3-hydroxy-N-(1-hydroxy...)
Show SMILES CC(CO)NC(=N)c1c(Nc2cccc(Cl)c2Cl)s[nH]c1=O
Show InChI InChI=1S/C13H14Cl2N4O2S/c1-6(5-20)17-11(16)9-12(21)19-22-13(9)18-8-4-2-3-7(14)10(8)15/h2-4,6,18,20H,5H2,1H3,(H2,16,17)(H,19,21)
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n/an/a 38n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194046
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CCC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:5.4|
Show InChI InChI=1S/C20H20Cl2N4O3S/c1-2-12(10-27)24-18(23)17-19(28)26-30-20(17)25-13-4-6-14(7-5-13)29-16-9-11(21)3-8-15(16)22/h3-9,12,25,27H,2,10H2,1H3,(H2,23,24)(H,26,28)
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n/an/a 40n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
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 |w:2.2|
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/a 40n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187817
PNG
(5-(2-chloro-4-iodophenylamino)-3-hydroxy-N-isoprop...)
Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2Cl)s[nH]c1=O
Show InChI InChI=1S/C13H14ClIN4OS/c1-6(2)17-11(16)10-12(20)19-21-13(10)18-9-4-3-7(15)5-8(9)14/h3-6,18H,1-2H3,(H2,16,17)(H,19,20)
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n/an/a 42n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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/a 44n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 44n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194062
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenylthio)p...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Sc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O2S2/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/a 45n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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/a 46n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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/a 46n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 52n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194019
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-N-2,3-dihydro...)
Show SMILES NC(=NOCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2|
Show InChI InChI=1S/C19H18Cl2N4O5S/c20-10-1-6-14(21)15(7-10)30-13-4-2-11(3-5-13)23-19-16(18(28)25-31-19)17(22)24-29-9-12(27)8-26/h1-7,12,23,26-27H,8-9H2,(H2,22,24)(H,25,28)
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n/an/a 56n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194033
PNG
(5-4-2-chloro-4-fluorophenoxy)-2-methylphenylamino)...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)cc2C)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(29-16-6-3-12(22)8-14(16)21)4-5-15(10)25-20-17(19(28)26-30-20)18(23)24-11(2)9-27/h3-8,11,25,27H,9H2,1-2H3,(H2,23,24)(H,26,28)
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n/an/a 57n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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/a 58n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 58n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 58n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194022
PNG
(5-4-2-fluoro-5-trifluoromethyl)phenoxy)phenylamino...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(ccc3F)C(F)(F)F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C20H18F4N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-12-3-5-13(6-4-12)31-15-8-11(20(22,23)24)2-7-14(15)21/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)
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n/an/a 60n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187841
PNG
(3-hydroxy-5-(4-iodo-2-methylphenylamino)-N-isoprop...)
Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2C)s[nH]c1=O
Show InChI InChI=1S/C14H17IN4OS/c1-7(2)17-12(16)11-13(20)19-21-14(11)18-10-5-4-9(15)6-8(10)3/h4-7,18H,1-3H3,(H2,16,17)(H,19,20)
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n/an/a 62n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 64n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 67n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 75n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194021
PNG
(5-4-2-chloro-5-fluorophenoxy)phenylamino)-3-hydrox...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18ClFN4O3S/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(21)2-7-14(15)20/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/a 80n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194037
PNG
(5-4-2-chloro-4-fluorophenoxy)phenylamino)-3-hydrox...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18ClFN4O3S/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(21)8-14(15)20/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/a 85n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 107n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 120n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 120n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:7.6|
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/a 137n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 140n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(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 |w:4.3|
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/a 142n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CHK2


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194029
PNG
(5-4-3-chloro-2-fluorophenoxy)phenylamino)-3-hydrox...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(Cl)c3F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18ClFN4O3S/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/a 145n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194060
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-3...)
Show SMILES NC(=NCCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2|
Show InChI InChI=1S/C23H25Cl2N5O3S/c24-15-2-7-18(25)19(14-15)33-17-5-3-16(4-6-17)28-23-20(22(31)29-34-23)21(26)27-8-1-9-30-10-12-32-13-11-30/h2-7,14,28H,1,8-13H2,(H2,26,27)(H,29,31)
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n/an/a 147n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194044
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenylsulfon...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O4S2/c1-12(11-24)21-17(20)16-18(25)23-28-19(16)22-13-7-9-15(10-8-13)29(26,27)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/a 150n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 160n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194043
PNG
(5-3-chloro-4-iodophenylamino)-3-hydroxy-N-isopropy...)
Show SMILES CC(C)N=C(N)c1c(Nc2ccc(I)c(Cl)c2)s[nH]c1=O |w:3.2|
Show InChI InChI=1S/C13H14ClIN4OS/c1-6(2)17-11(16)10-12(20)19-21-13(10)18-7-3-4-9(15)8(14)5-7/h3-6,18H,1-2H3,(H2,16,17)(H,19,20)
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n/an/a 200n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 207n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 240n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Aurora kinase A


(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 |w:4.3|
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/a 260n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Aurora kinase A


(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 |w:4.3|
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/a 265n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora


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


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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/a 266n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194035
PNG
(5-4-2-chloro-5-fluorophenoxy)-3-methylphenylamino)...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)c(C)c2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(4-6-15(10)29-16-8-12(22)3-5-14(16)21)25-20-17(19(28)26-30-20)18(23)24-11(2)9-27/h3-8,11,25,27H,9H2,1-2H3,(H2,23,24)(H,26,28)
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n/an/a 280n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194066
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-3...)
Show SMILES CN1CCN(CCCN=C(N)c2c(Nc3ccc(Oc4cc(Cl)ccc4Cl)cc3)s[nH]c2=O)CC1 |w:8.7|
Show InChI InChI=1S/C24H28Cl2N6O2S/c1-31-11-13-32(14-12-31)10-2-9-28-22(27)21-23(33)30-35-24(21)29-17-4-6-18(7-5-17)34-20-15-16(25)3-8-19(20)26/h3-8,15,29H,2,9-14H2,1H3,(H2,27,28)(H,30,33)
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n/an/a 298n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(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 |w:4.3|
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/a 389n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Axl


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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 |w:4.3|
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/a 448n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Flt-3


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(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 |w:4.3|
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/a 455n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Axl


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187821
PNG
(3-hydroxy-5-(4-iodophenylamino)-N-isopropylisothia...)
Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2)s[nH]c1=O
Show InChI InChI=1S/C13H15IN4OS/c1-7(2)16-11(15)10-12(19)18-20-13(10)17-9-5-3-8(14)4-6-9/h3-7,17H,1-2H3,(H2,15,16)(H,18,19)
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n/an/a 510n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194052
PNG
(5-4-2-chloro-5-trifluoromethyl)phenoxy)phenylamino...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(ccc3Cl)C(F)(F)F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C20H18ClF3N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-12-3-5-13(6-4-12)31-15-8-11(20(22,23)24)2-7-14(15)21/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)
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n/an/a 540n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194017
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(C)C(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:6.5|
Show InChI InChI=1S/C21H22Cl2N4O3S/c1-11(2)16(10-28)26-19(24)18-20(29)27-31-21(18)25-13-4-6-14(7-5-13)30-17-9-12(22)3-8-15(17)23/h3-9,11,16,25,28H,10H2,1-2H3,(H2,24,26)(H,27,29)
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n/an/a 744n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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 |w:4.3|
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/a 795n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Flt-3


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase 2/S6K1


(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 |w:4.3|
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/a 1.00E+3n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of p70 S6 kinase


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194054
PNG
(5-4-2,4-difluorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18F2N4O3S/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/a 2.01E+3n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase 2/S6K1


(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 |w:4.3|
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/a 2.62E+3n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of p70 S6 kinase


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


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194018
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-2-phenylprop...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(C)(C)c2ccccc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C22H26N4O2S/c1-14(13-27)24-19(23)18-20(28)26-29-21(18)25-17-11-9-16(10-12-17)22(2,3)15-7-5-4-6-8-15/h4-12,14,25,27H,13H2,1-3H3,(H2,23,24)(H,26,28)
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n/an/a 7.90E+3n/an/an/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194060
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-3...)
Show SMILES NC(=NCCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2|
Show InChI InChI=1S/C23H25Cl2N5O3S/c24-15-2-7-18(25)19(14-15)33-17-5-3-16(4-6-17)28-23-20(22(31)29-34-23)21(26)27-8-1-9-30-10-12-32-13-11-30/h2-7,14,28H,1,8-13H2,(H2,26,27)(H,29,31)
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n/an/an/an/a 284n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187821
PNG
(3-hydroxy-5-(4-iodophenylamino)-N-isopropylisothia...)
Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2)s[nH]c1=O
Show InChI InChI=1S/C13H15IN4OS/c1-7(2)16-11(15)10-12(19)18-20-13(10)17-9-5-3-8(14)4-6-9/h3-7,17H,1-2H3,(H2,15,16)(H,18,19)
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n/an/an/an/a 8.32E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194035
PNG
(5-4-2-chloro-5-fluorophenoxy)-3-methylphenylamino)...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)c(C)c2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(4-6-15(10)29-16-8-12(22)3-5-14(16)21)25-20-17(19(28)26-30-20)18(23)24-11(2)9-27/h3-8,11,25,27H,9H2,1-2H3,(H2,23,24)(H,26,28)
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n/an/an/an/a 350n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194066
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-3...)
Show SMILES CN1CCN(CCCN=C(N)c2c(Nc3ccc(Oc4cc(Cl)ccc4Cl)cc3)s[nH]c2=O)CC1 |w:8.7|
Show InChI InChI=1S/C24H28Cl2N6O2S/c1-31-11-13-32(14-12-31)10-2-9-28-22(27)21-23(33)30-35-24(21)29-17-4-6-18(7-5-17)34-20-15-16(25)3-8-19(20)26/h3-8,15,29H,2,9-14H2,1H3,(H2,27,28)(H,30,33)
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n/an/an/an/a 605n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187841
PNG
(3-hydroxy-5-(4-iodo-2-methylphenylamino)-N-isoprop...)
Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2C)s[nH]c1=O
Show InChI InChI=1S/C14H17IN4OS/c1-7(2)17-12(16)11-13(20)19-21-14(11)18-10-5-4-9(15)6-8(10)3/h4-7,18H,1-3H3,(H2,16,17)(H,19,20)
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n/an/an/an/a 1.48E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187848
PNG
(5-(2,3-dichlorophenylamino)-3-hydroxy-N-(1-hydroxy...)
Show SMILES CC(CO)NC(=N)c1c(Nc2cccc(Cl)c2Cl)s[nH]c1=O
Show InChI InChI=1S/C13H14Cl2N4O2S/c1-6(5-20)17-11(16)9-12(21)19-22-13(9)18-8-4-2-3-7(14)10(8)15/h2-4,6,18,20H,5H2,1H3,(H2,16,17)(H,19,21)
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n/an/an/an/a 375n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194054
PNG
(5-4-2,4-difluorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18F2N4O3S/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 150n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194029
PNG
(5-4-3-chloro-2-fluorophenoxy)phenylamino)-3-hydrox...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(Cl)c3F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18ClFN4O3S/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 200n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:7.6|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194039
PNG
(5-4-2-chloro-3,5-difluorophenoxy)-3-fluorophenylam...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3Cl)c(F)c2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H16ClF3N4O3S/c1-8(7-28)25-17(24)15-18(29)27-31-19(15)26-10-2-3-13(11(22)6-10)30-14-5-9(21)4-12(23)16(14)20/h2-6,8,26,28H,7H2,1H3,(H2,24,25)(H,27,29)
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n/an/an/an/a 332n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194018
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-2-phenylprop...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(C)(C)c2ccccc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C22H26N4O2S/c1-14(13-27)24-19(23)18-20(28)26-29-21(18)25-17-11-9-16(10-12-17)22(2,3)15-7-5-4-6-8-15/h4-12,14,25,27H,13H2,1-3H3,(H2,23,24)(H,26,28)
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n/an/an/an/a 1.50E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194019
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-N-2,3-dihydro...)
Show SMILES NC(=NOCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2|
Show InChI InChI=1S/C19H18Cl2N4O5S/c20-10-1-6-14(21)15(7-10)30-13-4-2-11(3-5-13)23-19-16(18(28)25-31-19)17(22)24-29-9-12(27)8-26/h1-7,12,23,26-27H,8-9H2,(H2,22,24)(H,25,28)
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n/an/an/an/a 444n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:7.7|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194021
PNG
(5-4-2-chloro-5-fluorophenoxy)phenylamino)-3-hydrox...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18ClFN4O3S/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(21)2-7-14(15)20/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/an/an/a 260n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187817
PNG
(5-(2-chloro-4-iodophenylamino)-3-hydroxy-N-isoprop...)
Show SMILES CC(C)NC(=N)c1c(Nc2ccc(I)cc2Cl)s[nH]c1=O
Show InChI InChI=1S/C13H14ClIN4OS/c1-6(2)17-11(16)10-12(20)19-21-13(10)18-9-4-3-7(15)5-8(9)14/h3-6,18H,1-2H3,(H2,16,17)(H,19,20)
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n/an/an/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194046
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CCC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:5.4|
Show InChI InChI=1S/C20H20Cl2N4O3S/c1-2-12(10-27)24-18(23)17-19(28)26-30-20(17)25-13-4-6-14(7-5-13)29-16-9-11(21)3-8-15(16)22/h3-9,12,25,27H,2,10H2,1H3,(H2,23,24)(H,26,28)
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n/an/an/an/a 694n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194052
PNG
(5-4-2-chloro-5-trifluoromethyl)phenoxy)phenylamino...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(ccc3Cl)C(F)(F)F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C20H18ClF3N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-12-3-5-13(6-4-12)31-15-8-11(20(22,23)24)2-7-14(15)21/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)
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n/an/an/an/a 350n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194044
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenylsulfon...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O4S2/c1-12(11-24)21-17(20)16-18(25)23-28-19(16)22-13-7-9-15(10-8-13)29(26,27)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 278n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194048
PNG
(5-4-3,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18Cl2N4O3S/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 1.45E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194037
PNG
(5-4-2-chloro-4-fluorophenoxy)phenylamino)-3-hydrox...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H18ClFN4O3S/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(21)8-14(15)20/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)
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n/an/an/an/a 250n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194033
PNG
(5-4-2-chloro-4-fluorophenoxy)-2-methylphenylamino)...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)cc2C)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(29-16-6-3-12(22)8-14(16)21)4-5-15(10)25-20-17(19(28)26-30-20)18(23)24-11(2)9-27/h3-8,11,25,27H,9H2,1-2H3,(H2,23,24)(H,26,28)
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n/an/an/an/a 250n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:2.2|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194017
PNG
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)
Show SMILES CC(C)C(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:6.5|
Show InChI InChI=1S/C21H22Cl2N4O3S/c1-11(2)16(10-28)26-19(24)18-20(29)27-31-21(18)25-13-4-6-14(7-5-13)30-17-9-12(22)3-8-15(17)23/h3-9,11,16,25,28H,10H2,1-2H3,(H2,24,26)(H,27,29)
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n/an/an/an/a 564n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194062
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenylthio)p...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Sc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O2S2/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 650n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194043
PNG
(5-3-chloro-4-iodophenylamino)-3-hydroxy-N-isopropy...)
Show SMILES CC(C)N=C(N)c1c(Nc2ccc(I)c(Cl)c2)s[nH]c1=O |w:3.2|
Show InChI InChI=1S/C13H14ClIN4OS/c1-6(2)17-11(16)10-12(20)19-21-13(10)18-7-3-4-9(15)8(14)5-7/h3-6,18H,1-2H3,(H2,16,17)(H,19,20)
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n/an/an/an/a 6.19E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194022
PNG
(5-4-2-fluoro-5-trifluoromethyl)phenoxy)phenylamino...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(ccc3F)C(F)(F)F)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C20H18F4N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-12-3-5-13(6-4-12)31-15-8-11(20(22,23)24)2-7-14(15)21/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30)
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n/an/an/an/a 330n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
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 |w:4.3|
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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194030
PNG
(5-4-2,5-dichlorophenoxy)-3-fluorophenylamino)-3-hy...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)s[nH]c1=O |w:4.3|
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(22)7-11)29-15-6-10(20)2-4-12(15)21/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28)
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n/an/an/an/a 220n/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)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%