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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 = 'BDBM380787'   
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))		BDBM380787
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cn(C)c3ccccc23)c2cc[nH]c2n1
Show InChI InChI=1S/C30H34N8O2/c1-7-27(39)32-22-16-23(26(40-6)17-25(22)37(4)15-14-36(2)3)33-30-34-28(20-12-13-31-29(20)35-30)21-18-38(5)24-11-9-8-10-19(21)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,32,39)(H2,31,33,34,35)
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MMDB

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n/an/a 15n/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