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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 = 'BDBM50191648'   
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))
BDBM50191648
PNG
(CHEMBL3946232)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C4=CCCC4)cc23)cc1Cl |t:28|
Show InChI InChI=1S/C27H29ClFN5O3/c28-21-14-19(6-7-22(21)29)32-26-20-15-24(33-27(35)18-4-1-2-5-18)25(16-23(20)30-17-31-26)37-11-3-8-34-9-12-36-13-10-34/h4,6-7,14-17H,1-3,5,8-13H2,(H,33,35)(H,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50191648
PNG
(CHEMBL3946232)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C4=CCCC4)cc23)cc1Cl |t:28|
Show InChI InChI=1S/C27H29ClFN5O3/c28-21-14-19(6-7-22(21)29)32-26-20-15-24(33-27(35)18-4-1-2-5-18)25(16-23(20)30-17-31-26)37-11-3-8-34-9-12-36-13-10-34/h4,6-7,14-17H,1-3,5,8-13H2,(H,33,35)(H,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



University of Auckland

Curated by ChEMBL


Assay Description
Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...


J Med Chem 59: 8103-24 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00883
BindingDB Entry DOI: 10.7270/Q2FF3VB3
More data for this
Ligand-Target Pair