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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'luo' and Initial = 'zl'   
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))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013397
PNG
(CHEMBL3263380)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(=O)CS1 |t:9,27|
Show InChI InChI=1S/C24H21N3OS/c1-15-7-8-19(11-16(15)2)21-13-22(27(26-21)24-25-23(28)14-29-24)20-10-9-17-5-3-4-6-18(17)12-20/h3-12,22H,13-14H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013393
PNG
(CHEMBL3263373)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(CS1)c1ccccc1 |t:9,27|
Show InChI InChI=1S/C30H27N3S/c1-20-12-13-25(16-21(20)2)27-18-29(26-15-14-22-8-6-7-11-24(22)17-26)33(32-27)30-31-28(19-34-30)23-9-4-3-5-10-23/h3-17,28-29H,18-19H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013391
PNG
(CHEMBL3263366)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1cccc2ccccc12)C1=NC(=O)CS1 |t:9,27|
Show InChI InChI=1S/C24H21N3OS/c1-15-10-11-18(12-16(15)2)21-13-22(27(26-21)24-25-23(28)14-29-24)20-9-5-7-17-6-3-4-8-19(17)20/h3-12,22H,13-14H2,1-2H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013395
PNG
(CHEMBL3263378)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(=O)CS1 |t:9,27|
Show InChI InChI=1S/C23H19N3O2S/c1-28-19-10-8-16(9-11-19)20-13-21(26(25-20)23-24-22(27)14-29-23)18-7-6-15-4-2-3-5-17(15)12-18/h2-12,21H,13-14H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013396
PNG
(CHEMBL3263379)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(=O)CS1 |t:8,26|
Show InChI InChI=1S/C23H19N3OS/c1-15-6-8-17(9-7-15)20-13-21(26(25-20)23-24-22(27)14-28-23)19-11-10-16-4-2-3-5-18(16)12-19/h2-12,21H,13-14H2,1H3
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n/an/a 3.25E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013389
PNG
(CHEMBL3263359)
Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1cccc2ccccc12)C1=NC(CS1)c1ccccc1 |t:9,27|
Show InChI InChI=1S/C30H27N3S/c1-20-15-16-24(17-21(20)2)27-18-29(26-14-8-12-22-9-6-7-13-25(22)26)33(32-27)30-31-28(19-34-30)23-10-4-3-5-11-23/h3-17,28-29H,18-19H2,1-2H3
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n/an/a 3.96E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013392
PNG
(CHEMBL3263372)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(CS1)c1ccccc1 |t:8,26|
Show InChI InChI=1S/C29H25N3S/c1-20-11-13-23(14-12-20)26-18-28(25-16-15-21-7-5-6-10-24(21)17-25)32(31-26)29-30-27(19-33-29)22-8-3-2-4-9-22/h2-17,27-28H,18-19H2,1H3
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n/an/a 5.26E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013390
PNG
(CHEMBL3263364)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C1=NC(=O)CS1 |t:9,27|
Show InChI InChI=1S/C23H19N3O2S/c1-28-17-11-9-16(10-12-17)20-13-21(26(25-20)23-24-22(27)14-29-23)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,21H,13-14H2,1H3
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n/an/a 5.53E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50013394
PNG
(CHEMBL3263374)
Show SMILES O=C1CSC(=N1)N1N=C(CC1c1ccc2ccccc2c1)c1ccccc1 |c:4,8|
Show InChI InChI=1S/C22H17N3OS/c26-21-14-27-22(23-21)25-20(13-19(24-25)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,20H,13-14H2
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n/an/a 6.31E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time...


Bioorg Med Chem Lett 24: 2324-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.072
BindingDB Entry DOI: 10.7270/Q2X63PGR
More data for this
Ligand-Target Pair