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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50406870'   
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))
BDBM50406870
PNG
(CHEMBL4168254)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1CCOC1)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O3/c1-30(2)11-5-8-25(32)29-22-14-20-21(15-24(22)34-19-10-13-33-16-19)27-17-28-26(20)31-12-9-18-6-3-4-7-23(18)31/h3-8,14-15,17,19H,9-13,16H2,1-2H3,(H,29,32)/b8-5+/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Jiangxi Science & Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay


Eur J Med Chem 154: 29-43 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.006
BindingDB Entry DOI: 10.7270/Q2S46VJX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50406870
PNG
(CHEMBL4168254)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1CCOC1)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O3/c1-30(2)11-5-8-25(32)29-22-14-20-21(15-24(22)34-19-10-13-33-16-19)27-17-28-26(20)31-12-9-18-6-3-4-7-23(18)31/h3-8,14-15,17,19H,9-13,16H2,1-2H3,(H,29,32)/b8-5+/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50406870
PNG
(CHEMBL4168254)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1CCOC1)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O3/c1-30(2)11-5-8-25(32)29-22-14-20-21(15-24(22)34-19-10-13-33-16-19)27-17-28-26(20)31-12-9-18-6-3-4-7-23(18)31/h3-8,14-15,17,19H,9-13,16H2,1-2H3,(H,29,32)/b8-5+/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 26n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50406870
PNG
(CHEMBL4168254)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1CCOC1)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O3/c1-30(2)11-5-8-25(32)29-22-14-20-21(15-24(22)34-19-10-13-33-16-19)27-17-28-26(20)31-12-9-18-6-3-4-7-23(18)31/h3-8,14-15,17,19H,9-13,16H2,1-2H3,(H,29,32)/b8-5+/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Jiangxi Science & Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR T790M mutant (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay


Eur J Med Chem 154: 29-43 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.006
BindingDB Entry DOI: 10.7270/Q2S46VJX
More data for this
Ligand-Target Pair