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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 380783   
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))
BDBM380783
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-22(35)28-18-12-19(21(36-6)13-20(18)33(4)11-10-32(2)3)29-25-30-23(16-14-27-34(5)15-16)17-8-9-26-24(17)31-25/h7-9,12-15H,1,10-11H2,2-6H3,(H,28,35)(H2,26,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM380783
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-22(35)28-18-12-19(21(36-6)13-20(18)33(4)11-10-32(2)3)29-25-30-23(16-14-27-34(5)15-16)17-8-9-26-24(17)31-25/h7-9,12-15H,1,10-11H2,2-6H3,(H,28,35)(H2,26,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM380783
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-22(35)28-18-12-19(21(36-6)13-20(18)33(4)11-10-32(2)3)29-25-30-23(16-14-27-34(5)15-16)17-8-9-26-24(17)31-25/h7-9,12-15H,1,10-11H2,2-6H3,(H,28,35)(H2,26,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 393n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM380783
PNG
(N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-met...)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nc(-c2cnn(C)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C25H31N9O2/c1-7-22(35)28-18-12-19(21(36-6)13-20(18)33(4)11-10-32(2)3)29-25-30-23(16-14-27-34(5)15-16)17-8-9-26-24(17)31-25/h7-9,12-15H,1,10-11H2,2-6H3,(H,28,35)(H2,26,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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