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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50453890'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112995
BindingDB Entry DOI: 10.7270/Q2DN494X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR d746-750/T790M/C797S mutant using poly-Glu-Tyr (4:1) as substrate after 2 hrs in presence of [gamma-33P]-ATP by ...


J Med Chem 61: 4290-4300 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01310
BindingDB Entry DOI: 10.7270/Q2VQ358D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged and N-terminal GST-tagged EGFR L858R/T790M/C797S triple mutant ( 668 to 1210 amino acids) expressed in bacu...


J Med Chem 62: 7302-7308 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00576
BindingDB Entry DOI: 10.7270/Q2T72MVW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) T790M/L858R/C797S mutant using poly (Glu,Tyr)...


ACS Med Chem Lett 9: 1123-1127 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00373
BindingDB Entry DOI: 10.7270/Q2FR00BQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 367n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR T790M/L858R double mutant using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA


ACS Med Chem Lett 9: 1123-1127 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00373
BindingDB Entry DOI: 10.7270/Q2FR00BQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR (unknown origin) using Poly(Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 62: 7302-7308 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00576
BindingDB Entry DOI: 10.7270/Q2T72MVW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant N-terminal GST-tagged human EGFR catalytic domain expressed in Sf9 insect cells using poly-Glu-Tyr (4:1) as subst...


J Med Chem 61: 4290-4300 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01310
BindingDB Entry DOI: 10.7270/Q2VQ358D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453890
PNG
(CHEMBL4218431)
Show SMILES Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
Show InChI InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112995
BindingDB Entry DOI: 10.7270/Q2DN494X
More data for this
Ligand-Target Pair