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Compile Data Set for Download or QSAR

Found 334 hits with Last Name = 'wu' and Initial = 'jz'   
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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50410390
PNG
(CHEMBL1161754)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CP(O)(=O)OP(O)(=O)OP(O)(O)O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H18N5O12P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-28(18,19)26-30(23,24)27-29(20,21)22/h2-4,6-7,10,16-17,20-22,29H,1H2,(H,18,19)(H,23,24)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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2.01E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50410391
PNG
(CHEMBL1161753)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](OCP(O)(=O)OP(O)(=O)OP(O)(O)O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H20N5O12P3/c12-10-7-11(14-2-13-10)16(3-15-7)5-1-6(9(18)8(5)17)26-4-29(19,20)27-31(24,25)28-30(21,22)23/h2-3,5-6,8-9,17-18,21-23,30H,1,4H2,(H,19,20)(H,24,25)(H2,12,13,14)/t5-,6+,8+,9-/m1/s1
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2.29E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50410392
PNG
(CHEMBL1161773)
Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCP(O)(=O)OP(O)(=O)OP(O)(O)O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H22N5O12P3/c1-12(19)8(18)6(2-3-30(20,21)28-32(25,26)29-31(22,23)24)27-11(12)17-5-16-7-9(13)14-4-15-10(7)17/h4-6,8,11,18-19,22-24,31H,2-3H2,1H3,(H,20,21)(H,25,26)(H2,13,14,15)/t6-,8-,11-,12-/m1/s1
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3.27E+5n/an/an/an/an/an/an/an/a



Valeant Pharmaceuticals International

Curated by ChEMBL


Assay Description
Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp


J Med Chem 48: 2867-75 (2005)


Article DOI: 10.1021/jm049029u
BindingDB Entry DOI: 10.7270/Q2BK1DKJ
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50027664
PNG
(CHEMBL3338404)
Show SMILES ONC(=O)c1ccc2CCN(Cc3ccc(o3)-c3cccc(c3)[N+]([O-])=O)Cc2c1
Show InChI InChI=1S/C21H19N3O5/c25-21(22-26)16-5-4-14-8-9-23(12-17(14)10-16)13-19-6-7-20(29-19)15-2-1-3-18(11-15)24(27)28/h1-7,10-11,26H,8-9,12-13H2,(H,22,25)
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n/an/a 30n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay


J Med Chem 57: 8026-34 (2014)


Article DOI: 10.1021/jm5008962
BindingDB Entry DOI: 10.7270/Q29C700V
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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 Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MEK1


Bioorg Med Chem Lett 16: 3975-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.019
BindingDB Entry DOI: 10.7270/Q2SJ1K6C
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027661
PNG
(CHEMBL3338417)
Show SMILES ONC(=O)c1ccc2CC[C@@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r|
Show InChI InChI=1/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/s2
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n/an/a 40n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay


J Med Chem 57: 8026-34 (2014)


Article DOI: 10.1021/jm5008962
BindingDB Entry DOI: 10.7270/Q29C700V
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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 Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MEK1


Bioorg Med Chem Lett 16: 3975-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.019
BindingDB Entry DOI: 10.7270/Q2SJ1K6C
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187818
PNG
(5-(2-chloro-4-iodophenylamino)-3-hydroxy-N-(1-hydr...)
Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(I)cc2Cl)s[nH]c1=O
Show InChI InChI=1S/C13H14ClIN4O2S/c1-6(5-20)17-11(16)10-12(21)19-22-13(10)18-9-3-2-7(15)4-8(9)14/h2-4,6,18,20H,5H2,1H3,(H2,16,17)(H,19,21)
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n/an/a 44n/an/an/an/an/an/a



Valeant Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MEK1


Bioorg Med Chem Lett 16: 3975-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.019
BindingDB Entry DOI: 10.7270/Q2SJ1K6C
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027664
PNG
(CHEMBL3338404)
Show SMILES ONC(=O)c1ccc2CCN(Cc3ccc(o3)-c3cccc(c3)[N+]([O-])=O)Cc2c1
Show InChI InChI=1S/C21H19N3O5/c25-21(22-26)16-5-4-14-8-9-23(12-17(14)10-16)13-19-6-7-20(29-19)15-2-1-3-18(11-15)24(27)28/h1-7,10-11,26H,8-9,12-13H2,(H,22,25)
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n/an/a 50n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay


J Med Chem 57: 8026-34 (2014)


Article DOI: 10.1021/jm5008962
BindingDB Entry DOI: 10.7270/Q29C700V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM26673
PNG
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)
Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
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n/an/a 50n/an/an/an/a7.523



Valeant Pharmaceuticals Research and Development



Assay Description
PIM-1 kinase activity was evaluated using calf thymus histones as the substrate in a 96-well filter plate format. After incubation, the plate was was...


Bioorg Med Chem Lett 17: 1679-83 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.086
BindingDB Entry DOI: 10.7270/Q2CV4G2V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027662
PNG
(CHEMBL3338418)
Show SMILES ONC(=O)c1ccc2CC[C@H](Cc2c1)Nc1nccc(n1)-c1cccnc1 |r|
Show InChI InChI=1/C20H19N5O2/c26-19(25-27)14-4-3-13-5-6-17(11-16(13)10-14)23-20-22-9-7-18(24-20)15-2-1-8-21-12-15/h1-4,7-10,12,17,27H,5-6,11H2,(H,25,26)(H,22,23,24)/t17-/s2
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n/an/a 50n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay


J Med Chem 57: 8026-34 (2014)


Article DOI: 10.1021/jm5008962
BindingDB Entry DOI: 10.7270/Q29C700V
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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 Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MEK1


Bioorg Med Chem Lett 16: 3975-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.019
BindingDB Entry DOI: 10.7270/Q2SJ1K6C
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187801
PNG
(5-(2-chloro-4-(trifluoromethyl)phenylamino)-3-hydr...)
Show SMILES CC(C)NC(=N)c1c(Nc2ccc(cc2Cl)C(F)(F)F)s[nH]c1=O
Show InChI InChI=1S/C14H14ClF3N4OS/c1-6(2)20-11(19)10-12(23)22-24-13(10)21-9-4-3-7(5-8(9)15)14(16,17)18/h3-6,21H,1-2H3,(H2,19,20)(H,22,23)
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n/an/a 68n/an/an/an/an/an/a



Valeant Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MEK1


Bioorg Med Chem Lett 16: 3975-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.019
BindingDB Entry DOI: 10.7270/Q2SJ1K6C
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50187855
PNG
(3-hydroxy-N-(1-hydroxypropan-2-yl)-5-(4-iodo-2-met...)
Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(I)cc2C)s[nH]c1=O
Show InChI InChI=1S/C14H17IN4O2S/c1-7-5-9(15)3-4-10(7)18-14-11(13(21)19-22-14)12(16)17-8(2)6-20/h3-5,8,18,20H,6H2,1-2H3,(H2,16,17)(H,19,21)
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n/an/a 73n/an/an/an/an/an/a



Valeant Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MEK1


Bioorg Med Chem Lett 16: 3975-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.019
BindingDB Entry DOI: 10.7270/Q2SJ1K6C
More data for this
Ligand-Target Pair
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