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19 similar compounds to monomer 5446

Compile data set for download or QSAR
Wt: 341.3
BDBM4629
Wt: 334.3
BDBM50095257
Wt: 305.3
BDBM50095259
Wt: 333.3
BDBM50095264
Wt: 309.3
BDBM50095280
Wt: 295.3
BDBM50102093
Purchase
Wt: 387.4
BDBM50117992
Wt: 335.3
BDBM50223083
Wt: 381.4
BDBM50223087
Wt: 363.4
BDBM50223089
Wt: 349.3
BDBM50223091
Wt: 309.3
BDBM50291111
Wt: 391.4
BDBM50391089
Purchase
Wt: 357.4
BDBM50428420
Wt: 309.3
BDBM50449207
Purchase
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 4629,50095257,50095259,50095264,50095280,50102093,50117992,50223083,50223087,50223089,50223091,50291111,50391089,50428420,50449207   
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
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4629
PNG
(3-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O4/c1-23-6-7-25-17-10-15-14(9-16(17)24-2)18(20-11-19-15)21-12-4-3-5-13(22)8-12/h3-5,8-11,22H,6-7H2,1-2H3,(H,19,20,21)
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n/an/a 30n/an/an/an/a7.422



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50391089
PNG
(BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...)
Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
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US Patent
n/an/a 1.23n/an/an/an/an/an/a



BETTA PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
TBD


US Patent US10059688 (2018)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM4629
PNG
(3-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O4/c1-23-6-7-25-17-10-15-14(9-16(17)24-2)18(20-11-19-15)21-12-4-3-5-13(22)8-12/h3-5,8-11,22H,6-7H2,1-2H3,(H,19,20,21)
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n/an/a 7.00E+3n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit FGFR-1 TK activity. The compounds were incubated with enzyme 20 min at room ...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50428420
PNG
(CHEMBL2333991)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O2/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50428420
PNG
(CHEMBL2333991)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O2/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50428420
PNG
(CHEMBL2333991)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O2/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50428420
PNG
(CHEMBL2333991)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O2/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50117992
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-pyrimidin-5-yl-p...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cncnc3)c2cc1OCC
Show InChI InChI=1S/C22H21N5O2/c1-3-28-20-9-18-19(10-21(20)29-4-2)25-14-26-22(18)27-17-7-5-6-15(8-17)16-11-23-13-24-12-16/h5-14H,3-4H2,1-2H3,(H,25,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


Article DOI: 10.1021/jm010496a
BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50223083
PNG
(3-(3-(6,7-dimethoxyquinazolin-4-ylamino)phenyl)pro...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#CCO)c2cc1OC
Show InChI InChI=1S/C19H17N3O3/c1-24-17-10-15-16(11-18(17)25-2)20-12-21-19(15)22-14-7-3-5-13(9-14)6-4-8-23/h3,5,7,9-12,23H,8H2,1-2H3,(H,20,21,22)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 6373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.061
BindingDB Entry DOI: 10.7270/Q25Q4VT1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50223087
PNG
(6,7-dimethoxy-N-(3-(2-phenylethynyl)phenyl)quinazo...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#Cc3ccccc3)c2cc1OC
Show InChI InChI=1S/C24H19N3O2/c1-28-22-14-20-21(15-23(22)29-2)25-16-26-24(20)27-19-10-6-9-18(13-19)12-11-17-7-4-3-5-8-17/h3-10,13-16H,1-2H3,(H,25,26,27)
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n/an/a 921n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 6373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.061
BindingDB Entry DOI: 10.7270/Q25Q4VT1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50223089
PNG
(5-(3-(6,7-dimethoxyquinazolin-4-ylamino)phenyl)pen...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#CCCCO)c2cc1OC
Show InChI InChI=1S/C21H21N3O3/c1-26-19-12-17-18(13-20(19)27-2)22-14-23-21(17)24-16-9-6-8-15(11-16)7-4-3-5-10-25/h6,8-9,11-14,25H,3,5,10H2,1-2H3,(H,22,23,24)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 6373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.061
BindingDB Entry DOI: 10.7270/Q25Q4VT1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50223091
PNG
(4-(3-(6,7-dimethoxyquinazolin-4-ylamino)phenyl)but...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#CCCO)c2cc1OC
Show InChI InChI=1S/C20H19N3O3/c1-25-18-11-16-17(12-19(18)26-2)21-13-22-20(16)23-15-8-5-7-14(10-15)6-3-4-9-24/h5,7-8,10-13,24H,4,9H2,1-2H3,(H,21,22,23)
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n/an/a 402n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 6373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.061
BindingDB Entry DOI: 10.7270/Q25Q4VT1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50095259
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)
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n/an/a 29n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 6373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.061
BindingDB Entry DOI: 10.7270/Q25Q4VT1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50291111
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-methyl-m-tolyl-ami...)
Show SMILES COc1cc2ncnc(N(C)c3cccc(C)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-12-6-5-7-13(8-12)21(2)18-14-9-16(22-3)17(23-4)10-15(14)19-11-20-18/h5-11H,1-4H3
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n/an/a 1.20E+4n/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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50291111
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-methyl-m-tolyl-ami...)
Show SMILES COc1cc2ncnc(N(C)c3cccc(C)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-12-6-5-7-13(8-12)21(2)18-14-9-16(22-3)17(23-4)10-15(14)19-11-20-18/h5-11H,1-4H3
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n/an/a 180n/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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50102093
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-m-tolyl-amine | 6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-11-5-4-6-12(7-11)20-17-13-8-15(21-2)16(22-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20)
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n/an/a 4.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR


J Med Chem 52: 964-75 (2009)


Article DOI: 10.1021/jm800829v
BindingDB Entry DOI: 10.7270/Q27W6C7Q
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM50095259
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the porcine kidney F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00586-2
BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50095257
PNG
(3-(6,7-Diethoxy-quinazolin-4-ylamino)-benzonitrile...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)C#N)c2cc1OCC
Show InChI InChI=1S/C19H18N4O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)21-12-22-19(15)23-14-7-5-6-13(8-14)11-20/h5-10,12H,3-4H2,1-2H3,(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.


Bioorg Med Chem Lett 11: 17-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00586-2
BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50095259
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the rat liver F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00586-2
BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50095264
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)-...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCC
Show InChI InChI=1S/C20H19N3O2/c1-4-14-8-7-9-15(10-14)23-20-16-11-18(24-5-2)19(25-6-3)12-17(16)21-13-22-20/h1,7-13H,5-6H2,2-3H3,(H,21,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.


Bioorg Med Chem Lett 11: 17-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00586-2
BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50095259
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)
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n/an/a 900n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.


Bioorg Med Chem Lett 11: 17-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00586-2
BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50095280
PNG
((6,7-Diethoxy-quinazolin-4-yl)-phenyl-amine | CHEM...)
Show SMILES CCOc1cc2ncnc(Nc3ccccc3)c2cc1OCC
Show InChI InChI=1S/C18H19N3O2/c1-3-22-16-10-14-15(11-17(16)23-4-2)19-12-20-18(14)21-13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.


Bioorg Med Chem Lett 11: 17-21 (2001)


Article DOI: 10.1016/s0960-894x(00)00586-2
BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50102093
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-m-tolyl-amine | 6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-11-5-4-6-12(7-11)20-17-13-8-15(21-2)16(22-3)9-14(13)18-10-19-17/h4-10H,1-3H3,(H,18,19,20)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Epidermal growth factor receptor (EGFR-TK) from A431 vulval squamous carcinoma cells using TKI assay


Bioorg Med Chem Lett 11: 1911-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00344-4
BindingDB Entry DOI: 10.7270/Q2XD1261
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50449207
PNG
(CHEMBL3127768)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-11-5-6-13(7-12(11)2)21-18-14-8-16(22-3)17(23-4)9-15(14)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


Bioorg Med Chem 22: 1909-15 (2014)


Article DOI: 10.1016/j.bmc.2014.01.044
BindingDB Entry DOI: 10.7270/Q26D5VHK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50449207
PNG
(CHEMBL3127768)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-11-5-6-13(7-12(11)2)21-18-14-8-16(22-3)17(23-4)9-15(14)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate by scintillation counting in presence ...


Bioorg Med Chem 22: 1909-15 (2014)


Article DOI: 10.1016/j.bmc.2014.01.044
BindingDB Entry DOI: 10.7270/Q26D5VHK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50449207
PNG
(CHEMBL3127768)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-11-5-6-13(7-12(11)2)21-18-14-8-16(22-3)17(23-4)9-15(14)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Rajiv Gandhi Proudyogiki Vishwavidyalaya

Curated by ChEMBL


Assay Description
inhibition of human recombinant CDK5/p25 using histone H1 as substrate by scintillation counting in presence of [gamma-33P]ATP


Bioorg Med Chem 22: 1909-15 (2014)


Article DOI: 10.1016/j.bmc.2014.01.044
BindingDB Entry DOI: 10.7270/Q26D5VHK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50428420
PNG
(CHEMBL2333991)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)-c3ccccc3)c2cc1OC
Show InChI InChI=1S/C22H19N3O2/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,23,24,25)
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n/an/a 127n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using biotinylated-PTP1B (Tyr66) as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Eur J Med Chem 61: 84-94 (2013)


Article DOI: 10.1016/j.ejmech.2012.07.036
BindingDB Entry DOI: 10.7270/Q2X068CH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50391089
PNG
(BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...)
Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Zhejiang Betapharma

Curated by ChEMBL


Assay Description
Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis


Bioorg Med Chem Lett 22: 6301-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.067
BindingDB Entry DOI: 10.7270/Q2NP25HZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50391089
PNG
(BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...)
Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
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n/an/a 45n/an/an/an/an/an/a



Zhejiang Betapharma

Curated by ChEMBL


Assay Description
Inhibition of EGFR-mediated intracellular tyrosine phosphorylation in EGF-stimulated human A431 cells after 2.5 hrs by SDS-PAGE analysis


Bioorg Med Chem Lett 22: 6301-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.067
BindingDB Entry DOI: 10.7270/Q2NP25HZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens)
BDBM50391089
PNG
(BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...)
Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
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n/an/a 2.02n/an/an/an/an/an/a



BETTA PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
TBD


US Patent US10059688 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M)


(Homo sapiens (Human))
BDBM50391089
PNG
(BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...)
Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



BETTA PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
TBD


US Patent US10059688 (2018)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens)
BDBM50391089
PNG
(BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...)
Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



BETTA PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
TBD


US Patent US10059688 (2018)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM4629
PNG
(3-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O4/c1-23-6-7-25-17-10-15-14(9-16(17)24-2)18(20-11-19-15)21-12-4-3-5-13(22)8-12/h3-5,8-11,22H,6-7H2,1-2H3,(H,19,20,21)
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n/an/a<5n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair