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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50582238'   
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))
BDBM50582238
PNG
(CHEMBL5076986)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cc1Cl
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) measured by ELISA


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00555
BindingDB Entry DOI: 10.7270/Q2CC14KG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50582238
PNG
(CHEMBL5076986)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)cc1Cl
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type EGFR (unknown origin) measured by ELISA


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00555
BindingDB Entry DOI: 10.7270/Q2CC14KG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)