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BDBM6497 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine::CHEMBL543904::RPR-108518A

SMILES: COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC

InChI Key: InChIKey=RNCVPFCGSMNPPO-UHFFFAOYSA-N

Data: 9 IC50  2 Kd

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 11 hits for monomerid = 6497   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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PubMed
n/an/a 280n/an/an/an/a7.530



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 10: 2477-80 (2000)


Article DOI: 10.1016/S0960-894X(00)00493-5
BindingDB Entry DOI: 10.7270/Q20P0X7T
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck tyrosine kinase


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonism towards Epidermal growth factor receptor


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56lck kinase autophosphorylation in Jurkat cells


Bioorg Med Chem Lett 7: 417-420 (1997)


Article DOI: 10.1016/S0960-894X(97)00034-6
BindingDB Entry DOI: 10.7270/Q2J966VN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase GAK


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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PubMed
n/an/a 350n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor (PDGF-R)


Bioorg Med Chem Lett 7: 421-424 (1997)


Article DOI: 10.1016/S0960-894X(97)00035-8
BindingDB Entry DOI: 10.7270/Q2SB45RN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase GAK


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/an/a 10n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/an/a 22n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...


J Med Chem 62: 4772-4778 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00350
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6497
PNG
(6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin...)
Show SMILES COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor autophosphorylation.


Bioorg Med Chem Lett 7: 417-420 (1997)


Article DOI: 10.1016/S0960-894X(97)00034-6
BindingDB Entry DOI: 10.7270/Q2J966VN
More data for this
Ligand-Target Pair