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Compile Data Set for Download or QSAR

Found 26 hits of ic50 for UniProtKB: P04049   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity mitogen-activated protein kinase kinase 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 2.40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095235
PNG
(6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-4-(4-phenoxy...)
Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H28N4O4/c1-34-27-17-25-26(18-28(27)36-16-13-33-11-14-35-15-12-33)31-20-21(19-30)29(25)32-22-7-9-24(10-8-22)37-23-5-3-2-4-6-23/h2-10,17-18,20H,11-16H2,1H3,(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase 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 9n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095236
PNG
(6-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-ca...)
Show SMILES COc1ccc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C23H17N3O2/c1-27-20-11-12-22-21(13-20)23(16(14-24)15-25-22)26-17-7-9-19(10-8-17)28-18-5-3-2-4-6-18/h2-13,15H,1H3,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095229
PNG
(7-(3-Morpholin-4-yl-propoxy)-4-(4-phenoxy-phenylam...)
Show SMILES N#Cc1cnc2cc(OCCCN3CCOCC3)ccc2c1Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H28N4O3/c30-20-22-21-31-28-19-26(35-16-4-13-33-14-17-34-18-15-33)11-12-27(28)29(22)32-23-7-9-25(10-8-23)36-24-5-2-1-3-6-24/h1-3,5-12,19,21H,4,13-18H2,(H,31,32)
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n/an/a 28n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095230
PNG
(5,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)
Show SMILES COc1cc(OC)c2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2c1)C#N
Show InChI InChI=1S/C24H19N3O3/c1-28-20-12-21-23(22(13-20)29-2)24(16(14-25)15-26-21)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 60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095234
PNG
(7-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-ca...)
Show SMILES COc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2c1)C#N
Show InChI InChI=1S/C23H17N3O2/c1-27-20-11-12-21-22(13-20)25-15-16(14-24)23(21)26-17-7-9-19(10-8-17)28-18-5-3-2-4-6-18/h2-13,15H,1H3,(H,25,26)
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n/an/a 90n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095239
PNG
(6,7-Dimethoxy-4-(3-phenoxy-phenylamino)-quinoline-...)
Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Oc4ccccc4)c3)c2cc1OC
Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-20-21(13-23(22)29-2)26-15-16(14-25)24(20)27-17-7-6-10-19(11-17)30-18-8-4-3-5-9-18/h3-13,15H,1-2H3,(H,26,27)
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n/an/a 95n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095231
PNG
(5-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-ca...)
Show SMILES COc1cccc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C23H17N3O2/c1-27-21-9-5-8-20-22(21)23(16(14-24)15-25-20)26-17-10-12-19(13-11-17)28-18-6-3-2-4-7-18/h2-13,15H,1H3,(H,25,26)
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n/an/a 98n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095233
PNG
(4-(4-Phenoxy-phenylamino)-quinoline-3-carbonitrile...)
Show SMILES N#Cc1cnc2ccccc2c1Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H15N3O/c23-14-16-15-24-21-9-5-4-8-20(21)22(16)25-17-10-12-19(13-11-17)26-18-6-2-1-3-7-18/h1-13,15H,(H,24,25)
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n/an/a 125n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50072147
PNG
((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...)
Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2
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n/an/a 290n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474839
PNG
(CHEMBL180308)
Show SMILES COc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1OCc1ccccc1
Show InChI InChI=1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095240
PNG
(6,7,8-Trimethoxy-4-(4-phenoxy-phenylamino)-quinoli...)
Show SMILES COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2c(OC)c1OC)C#N
Show InChI InChI=1S/C25H21N3O4/c1-29-21-13-20-22(16(14-26)15-27-23(20)25(31-3)24(21)30-2)28-17-9-11-19(12-10-17)32-18-7-5-4-6-8-18/h4-13,15H,1-3H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095238
PNG
(6,7-Dimethoxy-4-(2-phenoxy-phenylamino)-quinoline-...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccccc3Oc3ccccc3)c2cc1OC
Show InChI InChI=1S/C24H19N3O3/c1-28-22-12-18-20(13-23(22)29-2)26-15-16(14-25)24(18)27-19-10-6-7-11-21(19)30-17-8-4-3-5-9-17/h3-13,15H,1-2H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095228
PNG
(8-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-ca...)
Show SMILES COc1cccc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc12)C#N
Show InChI InChI=1S/C23H17N3O2/c1-27-21-9-5-8-20-22(16(14-24)15-25-23(20)21)26-17-10-12-19(13-11-17)28-18-6-3-2-4-7-18/h2-13,15H,1H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095237
PNG
(5,8-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-...)
Show SMILES COc1ccc(OC)c2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc12)C#N
Show InChI InChI=1S/C24H19N3O3/c1-28-20-12-13-21(29-2)24-22(20)23(16(14-25)15-26-24)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>1.00E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474842
PNG
(CHEMBL365404)
Show SMILES COc1cc(CN(CCc2ccccn2)C(=O)C2CC2c2ccccc2)ccc1OCc1ccccc1
Show InChI InChI=1S/C32H32N2O3/c1-36-31-20-25(15-16-30(31)37-23-24-10-4-2-5-11-24)22-34(19-17-27-14-8-9-18-33-27)32(35)29-21-28(29)26-12-6-3-7-13-26/h2-16,18,20,28-29H,17,19,21-23H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474841
PNG
(CHEMBL184940)
Show SMILES COc1cc(CN(CCc2ccccn2)C(=O)CCC(C)c2ccccc2)ccc1OCc1ccccc1
Show InChI InChI=1S/C33H36N2O3/c1-26(29-13-7-4-8-14-29)16-19-33(36)35(22-20-30-15-9-10-21-34-30)24-28-17-18-31(32(23-28)37-2)38-25-27-11-5-3-6-12-27/h3-15,17-18,21,23,26H,16,19-20,22,24-25H2,1-2H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474837
PNG
(CHEMBL361195)
Show SMILES COc1cc(CN(CCc2cccc(O)n2)C(=O)CCCCc2ccccc2)ccc1OCc1ccccc1
Show InChI InChI=1S/C33H36N2O4/c1-38-31-23-28(19-20-30(31)39-25-27-14-6-3-7-15-27)24-35(22-21-29-16-10-17-32(36)34-29)33(37)18-9-8-13-26-11-4-2-5-12-26/h2-7,10-12,14-17,19-20,23H,8-9,13,18,21-22,24-25H2,1H3,(H,34,36)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474838
PNG
(CHEMBL182656)
Show SMILES OCCOc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1OCc1ccccc1
Show InChI InChI=1S/C34H38N2O4/c37-23-24-39-33-25-30(18-19-32(33)40-27-29-14-5-2-6-15-29)26-36(22-20-31-16-9-10-21-35-31)34(38)17-8-7-13-28-11-3-1-4-12-28/h1-6,9-12,14-16,18-19,21,25,37H,7-8,13,17,20,22-24,26-27H2
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n/an/a 1.42E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474836
PNG
(CHEMBL359722)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(=O)N(CCc1ccccn1)Cc1ccccc1Cl
Show InChI InChI=1S/C29H27ClN2O3/c1-34-28-19-23(14-15-27(28)35-21-22-9-3-2-4-10-22)29(33)32(18-16-25-12-7-8-17-31-25)20-24-11-5-6-13-26(24)30/h2-15,17,19H,16,18,20-21H2,1H3
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n/an/a 1.62E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474843
PNG
(CHEMBL181589)
Show SMILES Oc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1OCc1ccccc1
Show InChI InChI=1S/C32H34N2O3/c35-30-23-28(18-19-31(30)37-25-27-14-5-2-6-15-27)24-34(22-20-29-16-9-10-21-33-29)32(36)17-8-7-13-26-11-3-1-4-12-26/h1-6,9-12,14-16,18-19,21,23,35H,7-8,13,17,20,22,24-25H2
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n/an/a 1.94E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474840
PNG
(CHEMBL185291)
Show SMILES COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C29H27ClN2O3/c1-34-28-19-23(14-15-27(28)35-21-22-9-3-2-4-10-22)20-32(18-16-24-11-7-8-17-31-24)29(33)25-12-5-6-13-26(25)30/h2-15,17,19H,16,18,20-21H2,1H3
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n/an/a 2.06E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50474835
PNG
(CHEMBL182807)
Show SMILES COc1cc(CN(Cc2ccccc2Cl)C(=O)Cc2ccccn2)ccc1OCc1ccccc1
Show InChI InChI=1S/C29H27ClN2O3/c1-34-28-17-23(14-15-27(28)35-21-22-9-3-2-4-10-22)19-32(20-24-11-5-6-13-26(24)30)29(33)18-25-12-7-8-16-31-25/h2-17H,18-21H2,1H3
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n/an/a 2.53E+4n/an/an/an/an/an/a



Morphochem Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells


Bioorg Med Chem Lett 14: 3957-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.048
BindingDB Entry DOI: 10.7270/Q2PZ5CM0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095227
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(4-phenoxy-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of ERK phosphorylation in coupled Raf-MEK-ERK ELISA (Weakly active)


Bioorg Med Chem Lett 10: 2825-8 (2000)


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair