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BDBM50183854 (R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-N-methylpropanamide::CHEMBL211003

SMILES: CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

InChI Key: InChIKey=QWNVYGCSKJLQIT-GFCCVEGCSA-N

Data: 13 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 13 hits for monomerid = 50183854   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of JNK


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of PKA


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of SAP kinase


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of MAPK


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of SGK


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
BindingDB Entry DOI: 10.7270/Q25H7FVK
More data for this
Ligand-Target Pair