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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50084024'   
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))
BDBM50084024
PNG
(CHEMBL3425660)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)C#N)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H29ClN8O3/c1-41-12-14-42(15-13-41)26-10-11-29(30(18-26)44-2)39-33-37-21-28(34)32(40-33)45-27-5-3-4-25(17-27)38-31(43)24(20-36)16-22-6-8-23(19-35)9-7-22/h3-11,16-18,21H,12-15H2,1-2H3,(H,38,43)(H,37,39,40)/b24-16+
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated fo...


Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50084024
PNG
(CHEMBL3425660)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)C#N)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H29ClN8O3/c1-41-12-14-42(15-13-41)26-10-11-29(30(18-26)44-2)39-33-37-21-28(34)32(40-33)45-27-5-3-4-25(17-27)38-31(43)24(20-36)16-22-6-8-23(19-35)9-7-22/h3-11,16-18,21H,12-15H2,1-2H3,(H,38,43)(H,37,39,40)/b24-16+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 m...


Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50084024
PNG
(CHEMBL3425660)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(cc3)C#N)\C#N)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C33H29ClN8O3/c1-41-12-14-42(15-13-41)26-10-11-29(30(18-26)44-2)39-33-37-21-28(34)32(40-33)45-27-5-3-4-25(17-27)38-31(43)24(20-36)16-22-6-8-23(19-35)9-7-22/h3-11,16-18,21H,12-15H2,1-2H3,(H,38,43)(H,37,39,40)/b24-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Technische Universit£t Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins befor...


Bioorg Med Chem 23: 2767-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.038
BindingDB Entry DOI: 10.7270/Q2XG9STH
More data for this
Ligand-Target Pair