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Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'su' and Initial = 'lp'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50443692
PNG
(CHEMBL3093837)
Show SMILES CCN(CC)CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H40N2O3/c1-5-31(6-2)19-11-9-7-8-10-12-20-33-25-17-18-26-27(32)22-28(34-29(26)21-25)23-13-15-24(16-14-23)30(3)4/h13-18,21-22H,5-12,19-20H2,1-4H3
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386n/an/an/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Linewea...


Bioorg Med Chem 21: 7275-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.061
BindingDB Entry DOI: 10.7270/Q25B03ZD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210747
PNG
(CHEMBL3968039)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C32H38ClN7O3/c1-21-6-7-23(16-22(21)2)37-32(41)38-27-9-8-24(17-26(27)33)36-31-25-18-29(42-4)30(19-28(25)34-20-35-31)43-15-5-10-40-13-11-39(3)12-14-40/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,41)
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210697
PNG
(CHEMBL3962233)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H33Cl2N7O3/c1-38-11-13-39(14-12-38)10-3-15-42-28-18-26-23(17-27(28)41-2)29(34-19-33-26)35-22-8-9-25(24(32)16-22)37-30(40)36-21-6-4-20(31)5-7-21/h4-9,16-19H,3,10-15H2,1-2H3,(H,33,34,35)(H2,36,37,40)
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50555129
PNG
(CHEMBL4794765)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccnn4c3)cc2C(F)(F)F)CC1
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TBA

Assay Description
Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115876
BindingDB Entry DOI: 10.7270/Q2WW7NBN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR-2 preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ...


Eur J Med Chem 109: 371-9 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.032
BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210748
PNG
(CHEMBL3920551)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C31H35ClN6O4/c1-20-5-6-22(15-21(20)2)36-31(39)37-26-8-7-23(16-25(26)32)35-30-24-17-28(40-3)29(18-27(24)33-19-34-30)42-12-4-9-38-10-13-41-14-11-38/h5-8,15-19H,4,9-14H2,1-3H3,(H,33,34,35)(H2,36,37,39)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210695
PNG
(CHEMBL3929448)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H32Cl2FN7O3/c1-39-9-11-40(12-10-39)8-3-13-43-28-17-26-21(16-27(28)42-2)29(35-18-34-26)36-19-5-7-25(23(32)15-19)38-30(41)37-20-4-6-24(33)22(31)14-20/h4-7,14-18H,3,8-13H2,1-2H3,(H,34,35,36)(H2,37,38,41)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210705
PNG
(CHEMBL3979264)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H34ClN7O3/c1-37-12-14-38(15-13-37)11-6-16-41-28-19-26-23(18-27(28)40-2)29(33-20-32-26)34-22-9-10-25(24(31)17-22)36-30(39)35-21-7-4-3-5-8-21/h3-5,7-10,17-20H,6,11-16H2,1-2H3,(H,32,33,34)(H2,35,36,39)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210752
PNG
(CHEMBL3938494)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4C)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H36ClN7O3/c1-21-7-4-5-8-25(21)36-31(40)37-26-10-9-22(17-24(26)32)35-30-23-18-28(41-3)29(19-27(23)33-20-34-30)42-16-6-11-39-14-12-38(2)13-15-39/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,33,34,35)(H2,36,37,40)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210701
PNG
(CHEMBL3957025)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H30Cl2N6O4/c1-39-26-16-22-25(17-27(26)41-12-2-9-37-10-13-40-14-11-37)32-18-33-28(22)34-21-7-8-24(23(31)15-21)36-29(38)35-20-5-3-19(30)4-6-20/h3-8,15-18H,2,9-14H2,1H3,(H,32,33,34)(H2,35,36,38)
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n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210698
PNG
(CHEMBL3939588)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCN1CCCCC1
Show InChI InChI=1S/C31H35ClN6O3/c1-20-7-8-22(15-21(20)2)36-31(39)37-26-10-9-23(16-25(26)32)35-30-24-17-28(40-3)29(18-27(24)33-19-34-30)41-14-13-38-11-5-4-6-12-38/h7-10,15-19H,4-6,11-14H2,1-3H3,(H,33,34,35)(H2,36,37,39)
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n/an/a 18n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50144600
PNG
(CHEMBL3759190)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H33ClN6O3/c1-36-13-15-37(16-14-36)12-5-17-40-28-19-26-24(18-27(28)39-2)29(33-20-32-26)34-21-8-10-22(11-9-21)35-30(38)23-6-3-4-7-25(23)31/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,35,38)(H,32,33,34)
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n/an/a 20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...


Eur J Med Chem 109: 371-9 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.032
BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 43n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50555128
PNG
(CHEMBL4794437)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2cccc(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1
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TBA

Assay Description
Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115876
BindingDB Entry DOI: 10.7270/Q2WW7NBN
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50555117
PNG
(CHEMBL4744535)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1
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TBA

Assay Description
Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115876
BindingDB Entry DOI: 10.7270/Q2WW7NBN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 47n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 7275-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.061
BindingDB Entry DOI: 10.7270/Q25B03ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210748
PNG
(CHEMBL3920551)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C31H35ClN6O4/c1-20-5-6-22(15-21(20)2)36-31(39)37-26-8-7-23(16-25(26)32)35-30-24-17-28(40-3)29(18-27(24)33-19-34-30)42-12-4-9-38-10-13-41-14-11-38/h5-8,15-19H,4,9-14H2,1-3H3,(H,33,34,35)(H2,36,37,39)
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n/an/a 51n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50555118
PNG
(CHEMBL4787932)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1
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TBA

Assay Description
Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115876
BindingDB Entry DOI: 10.7270/Q2WW7NBN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50614958
PNG
(CHEMBL5283400)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50614959
PNG
(CHEMBL5275818)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210695
PNG
(CHEMBL3929448)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H32Cl2FN7O3/c1-39-9-11-40(12-10-39)8-3-13-43-28-17-26-21(16-27(28)42-2)29(35-18-34-26)36-19-5-7-25(23(32)15-19)38-30(41)37-20-4-6-24(33)22(31)14-20/h4-7,14-18H,3,8-13H2,1-2H3,(H,34,35,36)(H2,37,38,41)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210747
PNG
(CHEMBL3968039)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C32H38ClN7O3/c1-21-6-7-23(16-22(21)2)37-32(41)38-27-9-8-24(17-26(27)33)36-31-25-18-29(42-4)30(19-28(25)34-20-35-31)43-15-5-10-40-13-11-39(3)12-14-40/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,41)
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n/an/a 79n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...


Eur J Med Chem 109: 371-9 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.032
BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50144602
PNG
(CHEMBL3759127)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H34N6O3/c1-35-14-16-36(17-15-35)13-6-18-39-28-20-26-25(19-27(28)38-2)29(32-21-31-26)33-23-9-11-24(12-10-23)34-30(37)22-7-4-3-5-8-22/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,34,37)(H,31,32,33)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...


Eur J Med Chem 109: 371-9 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.032
BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50555120
PNG
(CHEMBL4787667)
Show SMILES CN1CCN(Cc2ccc(cc2I)C(=O)Nc2ccc(C)c(Oc3ccc(cc3)-c3n[nH]c4ncnc(N)c34)c2)CC1
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TBA

Assay Description
Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115876
BindingDB Entry DOI: 10.7270/Q2WW7NBN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50614957
PNG
(CHEMBL5279382)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50144601
PNG
(CHEMBL3758749)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H33ClN6O3/c1-36-12-14-37(15-13-36)11-4-16-40-28-19-26-25(18-27(28)39-2)29(33-20-32-26)34-23-7-9-24(10-8-23)35-30(38)21-5-3-6-22(31)17-21/h3,5-10,17-20H,4,11-16H2,1-2H3,(H,35,38)(H,32,33,34)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...


Eur J Med Chem 109: 371-9 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.032
BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210752
PNG
(CHEMBL3938494)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4C)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H36ClN7O3/c1-21-7-4-5-8-25(21)36-31(40)37-26-10-9-22(17-24(26)32)35-30-23-18-28(41-3)29(19-27(23)33-20-34-30)42-16-6-11-39-14-12-38(2)13-15-39/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,33,34,35)(H2,36,37,40)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210707
PNG
(CHEMBL3923551)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H35N7O3/c1-36-14-16-37(17-15-36)13-6-18-40-28-20-26-25(19-27(28)39-2)29(32-21-31-26)33-23-9-11-24(12-10-23)35-30(38)34-22-7-4-3-5-8-22/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,31,32,33)(H2,34,35,38)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210704
PNG
(CHEMBL3948354)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4)c(Cl)c3)ncnc2cc1OCCN1CCCCC1
Show InChI InChI=1S/C29H31ClN6O3/c1-38-26-17-22-25(18-27(26)39-15-14-36-12-6-3-7-13-36)31-19-32-28(22)33-21-10-11-24(23(30)16-21)35-29(37)34-20-8-4-2-5-9-20/h2,4-5,8-11,16-19H,3,6-7,12-15H2,1H3,(H,31,32,33)(H2,34,35,37)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210746
PNG
(CHEMBL3905552)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C32H39N7O3/c1-22-6-7-26(18-23(22)2)37-32(40)36-25-10-8-24(9-11-25)35-31-27-19-29(41-4)30(20-28(27)33-21-34-31)42-17-5-12-39-15-13-38(3)14-16-39/h6-11,18-21H,5,12-17H2,1-4H3,(H,33,34,35)(H2,36,37,40)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50614954
PNG
(CHEMBL5279786)
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 219n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method


Bioorg Med Chem 21: 7275-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.061
BindingDB Entry DOI: 10.7270/Q25B03ZD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50144590
PNG
(CHEMBL3759015)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H30ClN5O4/c1-37-26-17-24-25(18-27(26)39-13-3-10-35-11-14-38-15-12-35)31-19-32-28(24)33-22-6-8-23(9-7-22)34-29(36)20-4-2-5-21(30)16-20/h2,4-9,16-19H,3,10-15H2,1H3,(H,34,36)(H,31,32,33)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...


Eur J Med Chem 109: 371-9 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.032
BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50614956
PNG
(CHEMBL5280112)
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210696
PNG
(CHEMBL3905242)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H34ClN7O3/c1-37-13-15-38(16-14-37)12-3-17-41-28-19-26-25(18-27(28)40-2)29(33-20-32-26)34-22-8-10-24(11-9-22)36-30(39)35-23-6-4-21(31)5-7-23/h4-11,18-20H,3,12-17H2,1-2H3,(H,32,33,34)(H2,35,36,39)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50614960
PNG
(CHEMBL5278954)
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210705
PNG
(CHEMBL3979264)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H34ClN7O3/c1-37-12-14-38(15-13-37)11-6-16-41-28-19-26-23(18-27(28)40-2)29(33-20-32-26)34-22-9-10-25(24(31)17-22)36-30(39)35-21-7-4-3-5-8-21/h3-5,7-10,17-20H,6,11-16H2,1-2H3,(H,32,33,34)(H2,35,36,39)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50614961
PNG
(CHEMBL5266203)
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210694
PNG
(CHEMBL3975598)
Show SMILES COC(=O)CNC(=O)c1ccc(Nc2ncnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)cc1
Show InChI InChI=1S/C27H34N6O5/c1-32-10-12-33(13-11-32)9-4-14-38-24-16-22-21(15-23(24)36-2)26(30-18-29-22)31-20-7-5-19(6-8-20)27(35)28-17-25(34)37-3/h5-8,15-16,18H,4,9-14,17H2,1-3H3,(H,28,35)(H,29,30,31)
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n/an/a 275n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210697
PNG
(CHEMBL3962233)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H33Cl2N7O3/c1-38-11-13-39(14-12-38)10-3-15-42-28-18-26-23(17-27(28)41-2)29(34-19-33-26)35-22-8-9-25(24(32)16-22)37-30(40)36-21-6-4-20(31)5-7-21/h4-9,16-19H,3,10-15H2,1-2H3,(H,33,34,35)(H2,36,37,40)
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n/an/a 279n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50144589
PNG
(CHEMBL3759848)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)ncnc2cc1OCCN1CCCCC1
Show InChI InChI=1S/C29H30ClN5O3/c1-37-26-17-24-25(18-27(26)38-15-14-35-12-3-2-4-13-35)31-19-32-28(24)33-22-8-10-23(11-9-22)34-29(36)20-6-5-7-21(30)16-20/h5-11,16-19H,2-4,12-15H2,1H3,(H,34,36)(H,31,32,33)
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n/an/a 300n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...


Eur J Med Chem 109: 371-9 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.032
BindingDB Entry DOI: 10.7270/Q2M32XKS
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 370n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50614955
PNG
(CHEMBL5282627)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50210749
PNG
(CHEMBL3904787)
Show SMILES COC(=O)CNC(=O)c1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1
Show InChI InChI=1S/C26H31N5O6/c1-34-22-14-20-21(15-23(22)37-11-3-8-31-9-12-36-13-10-31)28-17-29-25(20)30-19-6-4-18(5-7-19)26(33)27-16-24(32)35-2/h4-7,14-15,17H,3,8-13,16H2,1-2H3,(H,27,33)(H,28,29,30)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated f...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50555122
PNG
(CHEMBL4742966)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(c2)C(F)(F)F)cc1Oc1ccc(cc1)-c1n[nH]c2ncnc(N)c12
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n/an/a 416n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115876
BindingDB Entry DOI: 10.7270/Q2WW7NBN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210699
PNG
(CHEMBL3896615)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H34ClN7O3/c1-37-12-14-38(15-13-37)11-4-16-41-28-19-26-25(18-27(28)40-2)29(33-20-32-26)34-22-7-9-23(10-8-22)35-30(39)36-24-6-3-5-21(31)17-24/h3,5-10,17-20H,4,11-16H2,1-2H3,(H,32,33,34)(H2,35,36,39)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50210706
PNG
(CHEMBL3933568)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)Nc4ccccc4C)cc3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H37N7O3/c1-22-7-4-5-8-26(22)36-31(39)35-24-11-9-23(10-12-24)34-30-25-19-28(40-3)29(20-27(25)32-21-33-30)41-18-6-13-38-16-14-37(2)15-17-38/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,32,33,34)(H2,35,36,39)
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for ...


Eur J Med Chem 125: 245-254 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.039
BindingDB Entry DOI: 10.7270/Q2QJ7K9C
More data for this
Ligand-Target Pair
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