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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [T790M,L858R]' and Ligand = 'BDBM380798'   
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 [T790M,L858R]


(Homo sapiens (Human))
BDBM380798
PNG
(US9890168, Compound Comparative compound 1)
Show SMILES COc1cc(ccc1Nc1nc(-c2cccc(NC(=O)C=C)c2)c2cc[nH]c2n1)N(C)CCN(C)C
Show InChI InChI=1S/C27H31N7O2/c1-6-24(35)29-19-9-7-8-18(16-19)25-21-12-13-28-26(21)32-27(31-25)30-22-11-10-20(17-23(22)36-5)34(4)15-14-33(2)3/h6-13,16-17H,1,14-15H2,2-5H3,(H,29,35)(H2,28,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



Bryn Mawr College



Assay Description
The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determine...


J Med Chem 51: 1706-18 (2008)


BindingDB Entry DOI: 10.7270/Q2PV6NPJ
More data for this
Ligand-Target Pair