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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM380785'   
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))
BDBM380785
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(OC2CN(C2)S(C)(=O)=O)c2ccn(CO)c2n1
Show InChI InChI=1S/C26H36N8O6S/c1-7-23(36)27-19-12-20(22(39-5)13-21(19)32(4)11-10-31(2)3)28-26-29-24-18(8-9-33(24)16-35)25(30-26)40-17-14-34(15-17)41(6,37)38/h7-9,12-13,17,35H,1,10-11,14-16H2,2-6H3,(H,27,36)(H,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 88n/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