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PubMed code 30744932

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 60n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517778
PNG
(CHEMBL4447196)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5cc(C)ccc5nc4s3)cc2)cc1OC
Show InChI InChI=1S/C30H24N2O4S/c1-18-4-11-24-21(14-18)16-22-17-28(37-30(22)32-24)29(34)31-23-9-7-20(8-10-23)25(33)12-5-19-6-13-26(35-2)27(15-19)36-3/h4-17H,1-3H3,(H,31,34)/b12-5+
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n/an/a 500n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50517776
PNG
(CHEMBL4449599)
Show SMILES CCCCNc1ncnc2c3cc4ccccc4nc3sc12
Show InChI InChI=1S/C17H16N4S/c1-2-3-8-18-16-15-14(19-10-20-16)12-9-11-6-4-5-7-13(11)21-17(12)22-15/h4-7,9-10H,2-3,8H2,1H3,(H,18,19,20)
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n/an/a 540n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin)


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517774
PNG
(CHEMBL4462971)
Show SMILES COc1ccc2nc3sc(cc3cc2c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C30H24N2O5S/c1-35-23-10-11-24-20(16-23)15-21-17-28(38-30(21)32-24)29(34)31-22-8-6-19(7-9-22)25(33)12-4-18-5-13-26(36-2)27(14-18)37-3/h4-17H,1-3H3,(H,31,34)/b12-4+
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n/an/a 700n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517771
PNG
(CHEMBL4585048)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5ccccc5nc4s3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C30H24N2O5S/c1-35-25-14-18(15-26(36-2)28(25)37-3)8-13-24(33)19-9-11-22(12-10-19)31-29(34)27-17-21-16-20-6-4-5-7-23(20)32-30(21)38-27/h4-17H,1-3H3,(H,31,34)/b13-8+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517773
PNG
(CHEMBL4588486)
Show SMILES COc1ccc2nc3sc(cc3cc2c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C31H26N2O6S/c1-36-23-10-11-24-20(16-23)15-21-17-28(40-31(21)33-24)30(35)32-22-8-6-19(7-9-22)25(34)12-5-18-13-26(37-2)29(39-4)27(14-18)38-3/h5-17H,1-4H3,(H,32,35)/b12-5+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517777
PNG
(CHEMBL4464785)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5ccccc5nc4s3)cc2)cc1OC
Show InChI InChI=1S/C29H22N2O4S/c1-34-25-14-8-18(15-26(25)35-2)7-13-24(32)19-9-11-22(12-10-19)30-28(33)27-17-21-16-20-5-3-4-6-23(20)31-29(21)36-27/h3-17H,1-2H3,(H,30,33)/b13-7+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50517776
PNG
(CHEMBL4449599)
Show SMILES CCCCNc1ncnc2c3cc4ccccc4nc3sc12
Show InChI InChI=1S/C17H16N4S/c1-2-3-8-18-16-15-14(19-10-20-16)12-9-11-6-4-5-7-13(11)21-17(12)22-15/h4-7,9-10H,2-3,8H2,1H3,(H,18,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin)


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517770
PNG
(CHEMBL4474429)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5cc(OC)ccc5nc4s3)cc2)c1
Show InChI InChI=1S/C29H22N2O4S/c1-34-23-5-3-4-18(14-23)6-13-26(32)19-7-9-22(10-8-19)30-28(33)27-17-21-15-20-16-24(35-2)11-12-25(20)31-29(21)36-27/h3-17H,1-2H3,(H,30,33)/b13-6+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517775
PNG
(CHEMBL4540070)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5cc(C)ccc5nc4s3)cc2)c1
Show InChI InChI=1S/C29H22N2O3S/c1-18-6-12-25-21(14-18)16-22-17-27(35-29(22)31-25)28(33)30-23-10-8-20(9-11-23)26(32)13-7-19-4-3-5-24(15-19)34-2/h3-17H,1-2H3,(H,30,33)/b13-7+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50517772
PNG
(CHEMBL4568408)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(NC(=O)c3cc4cc5cc(C)ccc5nc4s3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C31H26N2O5S/c1-18-5-11-24-21(13-18)16-22-17-28(39-31(22)33-24)30(35)32-23-9-7-20(8-10-23)25(34)12-6-19-14-26(36-2)29(38-4)27(15-19)37-3/h5-17H,1-4H3,(H,32,35)/b12-6+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10...


Bioorg Med Chem 27: 1076-1086 (2019)


Article DOI: 10.1016/j.bmc.2019.02.012
BindingDB Entry DOI: 10.7270/Q23X8B1G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%