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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50520594'   
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))
BDBM50520594
PNG
(CHEMBL4465103)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)
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PC sid
UniChem
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n/an/a 5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...


Eur J Med Chem 136: 497-510 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520594
PNG
(CHEMBL4465103)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...


Eur J Med Chem 136: 497-510 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520594
PNG
(CHEMBL4465103)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 149n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged human EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T (4:...


Eur J Med Chem 136: 497-510 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520594
PNG
(CHEMBL4465103)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 236n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay


Eur J Med Chem 136: 497-510 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520594
PNG
(CHEMBL4465103)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 680n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MT...


Eur J Med Chem 136: 497-510 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520594
PNG
(CHEMBL4465103)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M exon19 deletion double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after...


Eur J Med Chem 136: 497-510 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520594
PNG
(CHEMBL4465103)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 988n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay


Eur J Med Chem 136: 497-510 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50520594
PNG
(CHEMBL4465103)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 830n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by...


Eur J Med Chem 136: 497-510 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.079
BindingDB Entry DOI: 10.7270/Q2WH2TCG
More data for this
Ligand-Target Pair