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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'youssif' and Initial = 'bgm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50614290
PNG
(CHEMBL5267773)
Show SMILES CC1CCCN1c1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1
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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50614288
PNG
(CHEMBL5280635)
Show SMILES CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccc(cc1)N1CCOCC1
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More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50252033
PNG
(CHEMBL4078023)
Show SMILES [#6]-[#7]1-[#6]\[#6](=[#6]/c2nc(-[#6])c(-[#6])nc2-[#6])\[#6](=[#7]/[#8])\[#6](\[#6]-1)=[#6]\c1nc(-[#6])c(-[#6])nc1-[#6]
Show InChI InChI=1S/C22H28N6O/c1-12-14(3)25-20(16(5)23-12)8-18-10-28(7)11-19(22(18)27-29)9-21-17(6)24-13(2)15(4)26-21/h8-9,29H,10-11H2,1-7H3/b18-8+,19-9+
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Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...


Eur J Med Chem 135: 34-48 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.025
BindingDB Entry DOI: 10.7270/Q2H41TV5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50252035
PNG
(CHEMBL4064361)
Show SMILES COc1cc(Br)c(\C=C2/CN(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N\O)cc1OC
Show InChI InChI=1S/C23H27BrN4O3/c1-13-14(2)26-20(15(3)25-13)8-18-12-28(4)11-17(23(18)27-29)7-16-9-21(30-5)22(31-6)10-19(16)24/h7-10,29H,11-12H2,1-6H3/b17-7+,18-8+,27-23-
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Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...


Eur J Med Chem 135: 34-48 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.025
BindingDB Entry DOI: 10.7270/Q2H41TV5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50614289
PNG
(CHEMBL5281464)
Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCOCC1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50614287
PNG
(CHEMBL5289560)
Show SMILES CCc1c([nH]c2ccc(cc12)C(F)(F)F)C(=O)NCCc1ccc(cc1)N1CCOCC1
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More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50614286
PNG
(CHEMBL5287016)
Show SMILES CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50614291
PNG
(CHEMBL5280144)
Show SMILES Cc1c([nH]c2cc(F)ccc12)C(=O)NCCc1ccc(F)cc1
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TBA



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


(Homo sapiens (Human))
BDBM50252089
PNG
(CHEMBL4083642)
Show SMILES CN1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C
Show InChI InChI=1S/C22H27N5O/c1-12-14(3)25-20(16(5)23-12)8-18-10-27(7)11-19(22(18)28)9-21-17(6)24-13(2)15(4)26-21/h8-9H,10-11H2,1-7H3/b18-8+,19-9+
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Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...


Eur J Med Chem 135: 34-48 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.025
BindingDB Entry DOI: 10.7270/Q2H41TV5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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Nahda University

Curated by ChEMBL


Assay Description
Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human His6-tagged MEK1 as substrate preincubated for 1 hr followed by ...


Eur J Med Chem 156: 774-789 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.024
BindingDB Entry DOI: 10.7270/Q2GF0X69
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50614285
PNG
(CHEMBL5287042)
Show SMILES CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccccc1
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of mouse full-length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...


Eur J Med Chem 135: 34-48 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.025
BindingDB Entry DOI: 10.7270/Q2H41TV5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50252090
PNG
(CHEMBL4063890)
Show SMILES COc1cc(Br)c(\C=C2/CN(C)C\C(=C/c3nc(C)c(C)nc3C)C2=O)cc1OC
Show InChI InChI=1S/C23H26BrN3O3/c1-13-14(2)26-20(15(3)25-13)8-18-12-27(4)11-17(23(18)28)7-16-9-21(29-5)22(30-6)10-19(16)24/h7-10H,11-12H2,1-6H3/b17-7+,18-8+
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Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...


Eur J Med Chem 135: 34-48 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.025
BindingDB Entry DOI: 10.7270/Q2H41TV5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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Nahda University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect ce...


Eur J Med Chem 156: 774-789 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.024
BindingDB Entry DOI: 10.7270/Q2GF0X69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR (unknown origin) cytoplasmic domain expressed in baculovirus infected Sf9 insect cells after 10 mins followed by addit...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 80n/an/an/an/an/an/a



Deraya University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR measured after 3 hrs by ELISA


Eur J Med Chem 176: 117-128 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.015
BindingDB Entry DOI: 10.7270/Q2SF30K0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614288
PNG
(CHEMBL5280635)
Show SMILES CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccc(cc1)N1CCOCC1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614289
PNG
(CHEMBL5281464)
Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(cc1)N1CCOCC1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614290
PNG
(CHEMBL5267773)
Show SMILES CC1CCCN1c1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2C)cc1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614287
PNG
(CHEMBL5289560)
Show SMILES CCc1c([nH]c2ccc(cc12)C(F)(F)F)C(=O)NCCc1ccc(cc1)N1CCOCC1
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614291
PNG
(CHEMBL5280144)
Show SMILES Cc1c([nH]c2cc(F)ccc12)C(=O)NCCc1ccc(F)cc1
PDB
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50457924
PNG
(CHEMBL4208224)
Show SMILES Cc1c2cc(Cl)ccc2n2cc(Cc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C19H15ClN2O/c1-12-16-10-14(20)7-8-17(16)22-11-15(21-19(23)18(12)22)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,21,23)
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Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of mouse full-length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614286
PNG
(CHEMBL5287016)
Show SMILES CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccc(cc1)N1CCCCC1
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n/an/a 117n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614285
PNG
(CHEMBL5287042)
Show SMILES CCc1c([nH]c2ccc(C)cc12)C(=O)NCCc1ccccc1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50524643
PNG
(CHEMBL4440012)
Show SMILES COc1ccc(cc1)C(\CSc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)=N/O
Show InChI InChI=1S/C16H17N5O4S/c1-20-13-12(14(22)21(2)16(20)23)17-15(18-13)26-8-11(19-24)9-4-6-10(25-3)7-5-9/h4-7,24H,8H2,1-3H3,(H,17,18)/b19-11-
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Deraya University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR measured after 3 hrs by ELISA


Eur J Med Chem 176: 117-128 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.015
BindingDB Entry DOI: 10.7270/Q2SF30K0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50524645
PNG
(CHEMBL4525168)
Show SMILES Cn1c2nc(SC\C(=N\O)c3ccc(Cl)cc3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H14ClN5O3S/c1-20-12-11(13(22)21(2)15(20)23)17-14(18-12)25-7-10(19-24)8-3-5-9(16)6-4-8/h3-6,24H,7H2,1-2H3,(H,17,18)/b19-10-
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Deraya University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR measured after 3 hrs by ELISA


Eur J Med Chem 176: 117-128 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.015
BindingDB Entry DOI: 10.7270/Q2SF30K0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50524647
PNG
(CHEMBL4439837)
Show SMILES Cn1c2nc(SC\C(=N\O)c3ccc(Br)cc3)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H14BrN5O3S/c1-20-12-11(13(22)21(2)15(20)23)17-14(18-12)25-7-10(19-24)8-3-5-9(16)6-4-8/h3-6,24H,7H2,1-2H3,(H,17,18)/b19-10-
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Deraya University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR measured after 3 hrs by ELISA


Eur J Med Chem 176: 117-128 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.015
BindingDB Entry DOI: 10.7270/Q2SF30K0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50457923
PNG
(CHEMBL4209588)
Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NC(CO)Cc1ccccc1
Show InChI InChI=1S/C19H19ClN2O2/c1-12-16-10-14(20)7-8-17(16)22-18(12)19(24)21-15(11-23)9-13-5-3-2-4-6-13/h2-8,10,15,22-23H,9,11H2,1H3,(H,21,24)
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Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR (unknown origin) cytoplasmic domain expressed in baculovirus infected Sf9 insect cells after 10 mins followed by addit...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50524644
PNG
(CHEMBL4441404)
Show SMILES COc1ccc(cc1)C(\CSc1nc2[nH]c(=O)n(C)c(=O)c2[nH]1)=N/O
Show InChI InChI=1S/C15H15N5O4S/c1-20-13(21)11-12(18-15(20)22)17-14(16-11)25-7-10(19-23)8-3-5-9(24-2)6-4-8/h3-6,23H,7H2,1-2H3,(H,16,17)(H,18,22)/b19-10-
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Deraya University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR measured after 3 hrs by ELISA


Eur J Med Chem 176: 117-128 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.015
BindingDB Entry DOI: 10.7270/Q2SF30K0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50457926
PNG
(CHEMBL4214496)
Show SMILES OCC(Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C18H17ClN2O2/c19-14-6-7-16-13(9-14)10-17(21-16)18(23)20-15(11-22)8-12-4-2-1-3-5-12/h1-7,9-10,15,21-22H,8,11H2,(H,20,23)
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Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR (unknown origin) cytoplasmic domain expressed in baculovirus infected Sf9 insect cells after 10 mins followed by addit...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50524646
PNG
(CHEMBL4529183)
Show SMILES Cn1c(=O)[nH]c2nc(SC\C(=N\O)c3ccc(Cl)cc3)[nH]c2c1=O
Show InChI InChI=1S/C14H12ClN5O3S/c1-20-12(21)10-11(18-14(20)22)17-13(16-10)24-6-9(19-23)7-2-4-8(15)5-3-7/h2-5,23H,6H2,1H3,(H,16,17)(H,18,22)/b19-9-
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Deraya University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR measured after 3 hrs by ELISA


Eur J Med Chem 176: 117-128 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.015
BindingDB Entry DOI: 10.7270/Q2SF30K0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 880n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by...


Eur J Med Chem 127: 972-985 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.006
BindingDB Entry DOI: 10.7270/Q2NC63G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50457925
PNG
(CHEMBL4207316)
Show SMILES CCc1c([nH]c2ccc(cc12)C(F)(F)F)C(=O)NC(CO)Cc1ccccc1
Show InChI InChI=1S/C21H21F3N2O2/c1-2-16-17-11-14(21(22,23)24)8-9-18(17)26-19(16)20(28)25-15(12-27)10-13-6-4-3-5-7-13/h3-9,11,15,26-27H,2,10,12H2,1H3,(H,25,28)
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Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR (unknown origin) cytoplasmic domain expressed in baculovirus infected Sf9 insect cells after 10 mins followed by addit...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50457928
PNG
(CHEMBL4213146)
Show SMILES CCc1c2cc(ccc2n2cc(Cc3ccccc3)[nH]c(=O)c12)C(F)(F)F
Show InChI InChI=1S/C21H17F3N2O/c1-2-16-17-11-14(21(22,23)24)8-9-18(17)26-12-15(25-20(27)19(16)26)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,25,27)
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Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of mouse full-length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50457925
PNG
(CHEMBL4207316)
Show SMILES CCc1c([nH]c2ccc(cc12)C(F)(F)F)C(=O)NC(CO)Cc1ccccc1
Show InChI InChI=1S/C21H21F3N2O2/c1-2-16-17-11-14(21(22,23)24)8-9-18(17)26-19(16)20(28)25-15(12-27)10-13-6-4-3-5-7-13/h3-9,11,15,26-27H,2,10,12H2,1H3,(H,25,28)
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Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of mouse full-length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50457927
PNG
(CHEMBL4208745)
Show SMILES Clc1ccc2c(cc3n2cc(Cc2ccccc2)[nH]c3=O)c1
Show InChI InChI=1S/C18H13ClN2O/c19-14-6-7-16-13(9-14)10-17-18(22)20-15(11-21(16)17)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of mouse full-length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50252091
PNG
(CHEMBL4102284)
Show SMILES [#6]-[#6](-[#6])-[#7]1-[#6]\[#6](=[#6]/c2nc(-[#6])c(-[#6])nc2-[#6])\[#6](=[#7]/[#8])\[#6](\[#6]-1)=[#6]\c1nc(-[#6])c(-[#6])nc1-[#6]
Show InChI InChI=1S/C24H32N6O/c1-13(2)30-11-20(9-22-18(7)25-14(3)16(5)27-22)24(29-31)21(12-30)10-23-19(8)26-15(4)17(6)28-23/h9-10,13,31H,11-12H2,1-8H3/b20-9+,21-10+
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Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis


Eur J Med Chem 135: 34-48 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.025
BindingDB Entry DOI: 10.7270/Q2H41TV5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50251945
PNG
(CHEMBL4100075)
Show SMILES CC1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C
Show InChI InChI=1S/C23H28N4O/c1-12-8-19(10-21-17(6)24-13(2)15(4)26-21)23(28)20(9-12)11-22-18(7)25-14(3)16(5)27-22/h10-12H,8-9H2,1-7H3/b19-10+,20-11+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...


Eur J Med Chem 135: 34-48 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.025
BindingDB Entry DOI: 10.7270/Q2H41TV5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50235313
PNG
(CHEMBL4074825)
Show SMILES Cc1c(O)c2cc(Cl)ccc2nc1C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H20ClN3O2/c1-14-19(23-18-8-7-15(22)13-17(18)20(14)26)21(27)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,23,26)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by...


Eur J Med Chem 127: 972-985 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.006
BindingDB Entry DOI: 10.7270/Q2NC63G3
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50251946
PNG
(CHEMBL4104427)
Show SMILES CC(C)N1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C
Show InChI InChI=1S/C24H31N5O/c1-13(2)29-11-20(9-22-18(7)25-14(3)16(5)27-22)24(30)21(12-29)10-23-19(8)26-15(4)17(6)28-23/h9-10,13H,11-12H2,1-8H3/b20-9+,21-10+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Wuhan University of Technology

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis


Eur J Med Chem 135: 34-48 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.025
BindingDB Entry DOI: 10.7270/Q2H41TV5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50235315
PNG
(CHEMBL4069774)
Show SMILES Cc1c(O)c2cc(Cl)ccc2nc1C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H15ClN4O2/c1-10-17(24-13-7-6-11(20)8-12(13)18(10)25)19(26)21-9-16-22-14-4-2-3-5-15(14)23-16/h2-8H,9H2,1H3,(H,21,26)(H,22,23)(H,24,25)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against almonds Beta-glucosidase


Eur J Med Chem 127: 972-985 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.006
BindingDB Entry DOI: 10.7270/Q2NC63G3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50235320
PNG
(CHEMBL4087573)
Show SMILES Cc1c(O)c2cc(Cl)ccc2nc1C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H19ClN2O2/c1-10-15(17(22)19-12-5-3-2-4-6-12)20-14-8-7-11(18)9-13(14)16(10)21/h7-9,12H,2-6H2,1H3,(H,19,22)(H,20,21)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Escherichia coli beta galactosidase


Eur J Med Chem 127: 972-985 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.006
BindingDB Entry DOI: 10.7270/Q2NC63G3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468896
PNG
(CHEMBL4279008)
Show SMILES COc1ccc(cc1)-c1nc2sc(cn2n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN3OS/c1-22-14-8-4-12(5-9-14)16-19-17-21(20-16)10-15(23-17)11-2-6-13(18)7-3-11/h2-10H,1H3
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PC sid
UniChem
Article
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nahda University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect ce...


Eur J Med Chem 156: 774-789 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.024
BindingDB Entry DOI: 10.7270/Q2GF0X69
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50235317
PNG
(CHEMBL4080473)
Show SMILES CN(C)c1ccc(CCNC(=O)c2nc3ccc(Cl)cc3c(O)c2C)cc1
Show InChI InChI=1S/C21H22ClN3O2/c1-13-19(24-18-9-6-15(22)12-17(18)20(13)26)21(27)23-11-10-14-4-7-16(8-5-14)25(2)3/h4-9,12H,10-11H2,1-3H3,(H,23,27)(H,24,26)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by...


Eur J Med Chem 127: 972-985 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.006
BindingDB Entry DOI: 10.7270/Q2NC63G3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50235314
PNG
(CHEMBL4103022)
Show SMILES Cc1c(O)c2cc(Cl)ccc2nc1C(=O)NCCc1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C23H24ClN3O2/c1-15-21(26-20-9-6-17(24)14-19(20)22(15)28)23(29)25-11-10-16-4-7-18(8-5-16)27-12-2-3-13-27/h4-9,14H,2-3,10-13H2,1H3,(H,25,29)(H,26,28)
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n/an/a 1.69E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by...


Eur J Med Chem 127: 972-985 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.006
BindingDB Entry DOI: 10.7270/Q2NC63G3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468892
PNG
(CHEMBL4289274)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc2sc(cn2n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClN3O3S/c1-24-14-8-12(9-15(25-2)17(14)26-3)18-21-19-23(22-18)10-16(27-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Nahda University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect ce...


Eur J Med Chem 156: 774-789 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.024
BindingDB Entry DOI: 10.7270/Q2GF0X69
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50457924
PNG
(CHEMBL4208224)
Show SMILES Cc1c2cc(Cl)ccc2n2cc(Cc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C19H15ClN2O/c1-12-16-10-14(20)7-8-17(16)22-11-15(21-19(23)18(12)22)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,21,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Aljouf University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR (unknown origin) cytoplasmic domain expressed in baculovirus infected Sf9 insect cells after 10 mins followed by addit...


Eur J Med Chem 146: 260-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.042
BindingDB Entry DOI: 10.7270/Q25X2CKD
More data for this
Ligand-Target Pair
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