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BDBM50183841 3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)pyrrolidin-2-one::CHEMBL378370

SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O

InChI Key: InChIKey=MOFYSSKDMWISNA-UHFFFAOYSA-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 = 50183841   
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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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
MAP kinase p38


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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n/an/a 70n/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 1


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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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