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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P00533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor [1-745,751-1210,T790M]


(Homo sapiens (Human))
BDBM391743
PNG
(N-(3-((2-((2-methoxy-4-(4-morpholinopiperidin-1-yl...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34F3N7O3/c1-3-27(41)35-20-5-4-6-21(17-20)36-28-24(30(31,32)33)19-34-29(38-28)37-25-8-7-23(18-26(25)42-2)39-11-9-22(10-12-39)40-13-15-43-16-14-40/h3-8,17-19,22H,1,9-16H2,2H3,(H,35,41)(H2,34,36,37,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Wyeth Research



Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


Bioorg Med Chem Lett 19: 62-6 (2009)


BindingDB Entry DOI: 10.7270/Q2P84F65
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-745,751-1210,T790M]


(Homo sapiens (Human))
BDBM391742
PNG
(N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/an/an/an/an/an/a



Wyeth Research



Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


Bioorg Med Chem Lett 19: 62-6 (2009)


BindingDB Entry DOI: 10.7270/Q2P84F65
More data for this
Ligand-Target Pair