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BDBM50095232 6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrile::CHEMBL414139

SMILES: COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N

InChI Key: InChIKey=LFTHSVHVSCMOQP-UHFFFAOYSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50095232   
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


(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 4n/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))
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))
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
Inhibition of ERK-phosphorylation by MEK-ERK in direct ELISA


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


BindingDB Entry DOI: 10.7270/Q22N51J8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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>1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of EGFR 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
Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK)


(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




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/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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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
Serine/threonine-protein kinase AKT


(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>1.00E+3n/an/an/an/an/an/a



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
Mitogen-activated protein kinase; ERK1/ERK2


(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 380n/an/an/an/an/an/a



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/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