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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 = 'BDBM6416'   
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))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair