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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'feldberg' and Initial = 'lr'   
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
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (Human))
BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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n/an/a 0.0100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation in LoVo cells


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132262
PNG
(4-[3-Chloro-4-(1,5-dimethyl-1H-imidazol-2-ylsulfan...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H31ClN6O3S/c1-19-17-33-29(35(19)2)40-27-6-5-21(13-23(27)30)34-28-20(16-31)18-32-24-15-26(25(37-3)14-22(24)28)39-10-4-7-36-8-11-38-12-9-36/h5-6,13-15,17-18H,4,7-12H2,1-3H3,(H,32,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM28124
PNG
(3-cyanoquinoline, 9 | 6-methoxy-7-[3-(morpholin-4-...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H30N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33)
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n/an/a 1.10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132266
PNG
(4-[3-Bromo-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-p...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Br)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29BrN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132261
PNG
(4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCS(=O)CC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S2/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(37-2)15-21(23)27)38-11-3-7-35-9-12-40(36)13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132264
PNG
(4-[3-Chloro-4-(1,4,5-trimethyl-1H-imidazol-2-ylsul...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H33ClN6O3S/c1-19-20(2)36(3)30(34-19)41-28-7-6-22(14-24(28)31)35-29-21(17-32)18-33-25-16-27(26(38-4)15-23(25)29)40-11-5-8-37-9-12-39-13-10-37/h6-7,14-16,18H,5,8-13H2,1-4H3,(H,33,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132260
PNG
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)
Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50095232
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)
Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33)
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n/an/a 2.40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099987
PNG
(4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34)
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n/an/a 2.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM28118
PNG
(3-cyanoquinoline, 3 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1
Show InChI InChI=1S/C30H34ClN7O2S/c1-4-37-11-13-38(14-12-37)9-5-15-40-27-18-25-23(17-26(27)39-3)29(21(19-32)20-34-25)35-22-6-7-28(24(31)16-22)41-30-33-8-10-36(30)2/h6-8,10,16-18,20H,4-5,9,11-15H2,1-3H3,(H,34,35)
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099990
PNG
(4-(4-Benzyl-phenylamino)-6,7-dimethoxy-quinoline-3...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C25H21N3O2/c1-29-23-13-21-22(14-24(23)30-2)27-16-19(15-26)25(21)28-20-10-8-18(9-11-20)12-17-6-4-3-5-7-17/h3-11,13-14,16H,12H2,1-2H3,(H,27,28)
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n/an/a 3.60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM28119
PNG
(3-cyanoquinoline, 4 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N
Show InChI InChI=1S/C28H29ClN6O2S/c1-34-12-8-31-28(34)38-26-7-6-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)37-13-5-11-35-9-3-4-10-35/h6-8,12,14-16,18H,3-5,9-11,13H2,1-2H3,(H,32,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50095232
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)
Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099983
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O3S/c1-34-27-16-25-26(17-28(27)36-11-2-8-33-9-12-35-13-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-14-37-20-22/h3-7,14,16-17,19-20H,2,8-13,15H2,1H3,(H,31,32)
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n/an/a 4.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099981
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)
Show SMILES COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O3S/c1-34-27-17-25-26(18-28(27)36-12-3-9-33-10-13-35-14-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-15-37-24/h2,4-8,15,17-18,20H,3,9-14,16H2,1H3,(H,31,32)
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n/an/a 4.40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM28122
PNG
(3-cyanoquinoline, 7 | 6-methoxy-4-({4-[(1-methyl-1...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H30N6O3S/c1-33-10-8-30-28(33)38-22-6-4-21(5-7-22)32-27-20(18-29)19-31-24-17-26(25(35-2)16-23(24)27)37-13-3-9-34-11-14-36-15-12-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM28124
PNG
(3-cyanoquinoline, 9 | 6-methoxy-7-[3-(morpholin-4-...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H30N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33)
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n/an/a 5.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50108776
PNG
(4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 6n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095226
PNG
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27)
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n/an/a 6.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095232
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenox...)
Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H30N4O4/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,32,33)
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n/an/a 7n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 Kinase phosphorylation in LoVo cells


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM28125
PNG
(3-cyanoquinoline, 10 | 4-{[3-chloro-4-(pyridin-2-y...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ccccn4)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H28ClN5O3S/c1-36-25-16-22-24(17-26(25)38-12-4-9-35-10-13-37-14-11-35)33-19-20(18-31)29(22)34-21-6-7-27(23(30)15-21)39-28-5-2-3-8-32-28/h2-3,5-8,15-17,19H,4,9-14H2,1H3,(H,33,34)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132263
PNG
(4-[3-Chloro-4-(thiazol-2-ylsulfanyl)-phenylamino]-...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccs4)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C27H26ClN5O3S2/c1-34-23-14-20-22(15-24(23)36-9-2-6-33-7-10-35-11-8-33)31-17-18(16-29)26(20)32-19-3-4-25(21(28)13-19)38-27-30-5-12-37-27/h3-5,12-15,17H,2,6-11H2,1H3,(H,31,32)
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM7491
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 9n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132265
PNG
(4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OCC
Show InChI InChI=1S/C24H22ClN5O2S/c1-4-31-20-11-17-19(12-21(20)32-5-2)28-14-15(13-26)23(17)29-16-6-7-22(18(25)10-16)33-24-27-8-9-30(24)3/h6-12,14H,4-5H2,1-3H3,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099984
PNG
(4-(4-Furan-3-ylmethyl-phenylamino)-6-methoxy-7-(3-...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccoc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O4/c1-34-27-16-25-26(17-28(27)37-11-2-8-33-9-13-35-14-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-12-36-20-22/h3-7,12,16-17,19-20H,2,8-11,13-15H2,1H3,(H,31,32)
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n/an/a 14n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099987
PNG
(4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C31H32N4O3/c1-36-29-19-27-28(20-30(29)38-15-5-12-35-13-16-37-17-14-35)33-22-25(21-32)31(27)34-26-10-8-24(9-11-26)18-23-6-3-2-4-7-23/h2-4,6-11,19-20,22H,5,12-18H2,1H3,(H,33,34)
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n/an/a 14n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099979
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccccn4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H31N5O3/c1-36-28-18-26-27(19-29(28)38-14-4-11-35-12-15-37-16-13-35)33-21-23(20-31)30(26)34-24-8-6-22(7-9-24)17-25-5-2-3-10-32-25/h2-3,5-10,18-19,21H,4,11-17H2,1H3,(H,33,34)
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n/an/a 18n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099981
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)
Show SMILES COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O3S/c1-34-27-17-25-26(18-28(27)36-12-3-9-33-10-13-35-14-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-15-37-24/h2,4-8,15,17-18,20H,3,9-14,16H2,1H3,(H,31,32)
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n/an/a 20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099978
PNG
(4-(4-Furan-2-ylmethyl-phenylamino)-6-methoxy-7-(3-...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccco4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O4/c1-34-27-17-25-26(18-28(27)37-13-3-9-33-10-14-35-15-11-33)31-20-22(19-30)29(25)32-23-7-5-21(6-8-23)16-24-4-2-12-36-24/h2,4-8,12,17-18,20H,3,9-11,13-16H2,1H3,(H,31,32)
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n/an/a 20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099985
PNG
(4-(4-Cyclohexylsulfanyl-phenylamino)-6-methoxy-7-(...)
Show SMILES COc1cc2c(Nc3ccc(SC4CCCCC4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H36N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h8-11,18-19,21,24H,2-7,12-17H2,1H3,(H,32,33)
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n/an/a 21n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099983
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-thioph...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O3S/c1-34-27-16-25-26(17-28(27)36-11-2-8-33-9-12-35-13-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-14-37-20-22/h3-7,14,16-17,19-20H,2,8-13,15H2,1H3,(H,31,32)
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n/an/a 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305663
PNG
((3-(1-(1-benzylpiperidin-4-yl)-4-morpholino-1H-pyr...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-20-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-18-29-34(28(25)31-26)24-9-11-32(12-10-24)19-21-5-2-1-3-6-21/h1-8,17-18,24,35H,9-16,19-20H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305645
PNG
((3-(4-morpholino-7-(piperidin-4-yl)-7H-pyrrolo[2,3...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ccn(C3CCNCC3)c2n1
Show InChI InChI=1S/C22H27N5O2/c28-15-16-2-1-3-17(14-16)20-24-21(26-10-12-29-13-11-26)19-6-9-27(22(19)25-20)18-4-7-23-8-5-18/h1-3,6,9,14,18,23,28H,4-5,7-8,10-13,15H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099988
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-[4-(pyrid...)
Show SMILES COc1cc2c(Nc3ccc(Oc4ccncc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H29N5O4/c1-35-27-17-25-26(18-28(27)37-14-2-11-34-12-15-36-16-13-34)32-20-21(19-30)29(25)33-22-3-5-23(6-4-22)38-24-7-9-31-10-8-24/h3-10,17-18,20H,2,11-16H2,1H3,(H,32,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132259
PNG
(6-Methoxy-4-[3-methyl-4-(1-methyl-1H-imidazol-2-yl...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(C)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H32N6O3S/c1-20-15-22(5-6-27(20)39-29-31-7-9-34(29)2)33-28-21(18-30)19-32-24-17-26(25(36-3)16-23(24)28)38-12-4-8-35-10-13-37-14-11-35/h5-7,9,15-17,19H,4,8,10-14H2,1-3H3,(H,32,33)
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n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099976
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-pyridi...)
Show SMILES COc1cc2c(Nc3ccc(Cc4cccnc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H31N5O3/c1-36-28-17-26-27(18-29(28)38-13-3-10-35-11-14-37-15-12-35)33-21-24(19-31)30(26)34-25-7-5-22(6-8-25)16-23-4-2-9-32-20-23/h2,4-9,17-18,20-21H,3,10-16H2,1H3,(H,33,34)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35600
PNG
(pyrazolo pyrimidine, 5e)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C27H30N6O2/c34-23-8-4-7-21(17-23)25-29-26(32-13-15-35-16-14-32)24-18-28-33(27(24)30-25)22-9-11-31(12-10-22)19-20-5-2-1-3-6-20/h1-8,17-18,22,34H,9-16,19H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099991
PNG
(6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenet...)
Show SMILES COc1cc2c(Nc3ccc(CCc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C32H34N4O3/c1-37-30-20-28-29(21-31(30)39-17-5-14-36-15-18-38-19-16-36)34-23-26(22-33)32(28)35-27-12-10-25(11-13-27)9-8-24-6-3-2-4-7-24/h2-4,6-7,10-13,20-21,23H,5,8-9,14-19H2,1H3,(H,34,35)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Dual specificity mitogen-activated protein kinase kinase in coupled activated Raf/MEK assay


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50095226
PNG
(6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,26,27)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM35596
PNG
(pyrazolo pyrimidine, 5a)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
Show InChI InChI=1S/C20H24N6O2/c27-16-3-1-2-14(12-16)18-23-19(25-8-10-28-11-9-25)17-13-22-26(20(17)24-18)15-4-6-21-7-5-15/h1-3,12-13,15,21,27H,4-11H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50099990
PNG
(4-(4-Benzyl-phenylamino)-6,7-dimethoxy-quinoline-3...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C25H21N3O2/c1-29-23-13-21-22(14-24(23)30-2)27-16-19(15-26)25(21)28-20-10-8-18(9-11-20)12-17-6-4-3-5-7-17/h3-11,13-14,16H,12H2,1-2H3,(H,27,28)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099982
PNG
(4-[4-(4-Chloro-phenoxy)-phenylamino]-6,7-dimethoxy...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccc(Cl)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C24H18ClN3O3/c1-29-22-11-20-21(12-23(22)30-2)27-14-15(13-26)24(20)28-17-5-9-19(10-6-17)31-18-7-3-16(25)4-8-18/h3-12,14H,1-2H3,(H,27,28)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50099984
PNG
(4-(4-Furan-3-ylmethyl-phenylamino)-6-methoxy-7-(3-...)
Show SMILES COc1cc2c(Nc3ccc(Cc4ccoc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H30N4O4/c1-34-27-16-25-26(17-28(27)37-11-2-8-33-9-13-35-14-10-33)31-19-23(18-30)29(25)32-24-5-3-21(4-6-24)15-22-7-12-36-20-22/h3-7,12,16-17,19-20H,2,8-11,13-15H2,1H3,(H,31,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated R...


Bioorg Med Chem Lett 11: 1407-10 (2001)


BindingDB Entry DOI: 10.7270/Q2RB73WF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305306
PNG
((3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-pur...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305307
PNG
((3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair
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