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PubMed code 26906472

Compile data set for download or QSAR
Found 6 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))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility shi...


Bioorg Med Chem 24: 1495-503 (2016)


Article DOI: 10.1016/j.bmc.2016.02.017
BindingDB Entry DOI: 10.7270/Q2KS6TCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50148026
PNG
(CHEMBL3763790)
Show SMILES COc1ccc(\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)c(OC)c1OC |r|
Show InChI InChI=1S/C30H28ClFN4O6/c1-38-25-8-4-17(28(39-2)29(25)40-3)5-9-27(37)36-24-13-20-23(14-26(24)42-19-10-11-41-15-19)33-16-34-30(20)35-18-6-7-22(32)21(31)12-18/h4-9,12-14,16,19H,10-11,15H2,1-3H3,(H,36,37)(H,33,34,35)/b9-5+/t19-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility shi...


Bioorg Med Chem 24: 1495-503 (2016)


Article DOI: 10.1016/j.bmc.2016.02.017
BindingDB Entry DOI: 10.7270/Q2KS6TCZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50148025
PNG
(CHEMBL3763360)
Show SMILES COc1ccc(\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)cc1 |r|
Show InChI InChI=1S/C28H24ClFN4O4/c1-36-19-6-2-17(3-7-19)4-9-27(35)34-25-13-21-24(14-26(25)38-20-10-11-37-15-20)31-16-32-28(21)33-18-5-8-23(30)22(29)12-18/h2-9,12-14,16,20H,10-11,15H2,1H3,(H,34,35)(H,31,32,33)/b9-4+/t20-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility shi...


Bioorg Med Chem 24: 1495-503 (2016)


Article DOI: 10.1016/j.bmc.2016.02.017
BindingDB Entry DOI: 10.7270/Q2KS6TCZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility shi...


Bioorg Med Chem 24: 1495-503 (2016)


Article DOI: 10.1016/j.bmc.2016.02.017
BindingDB Entry DOI: 10.7270/Q2KS6TCZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50148026
PNG
(CHEMBL3763790)
Show SMILES COc1ccc(\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)c(OC)c1OC |r|
Show InChI InChI=1S/C30H28ClFN4O6/c1-38-25-8-4-17(28(39-2)29(25)40-3)5-9-27(37)36-24-13-20-23(14-26(24)42-19-10-11-41-15-19)33-16-34-30(20)35-18-6-7-22(32)21(31)12-18/h4-9,12-14,16,19H,10-11,15H2,1-3H3,(H,36,37)(H,33,34,35)/b9-5+/t19-/m0/s1
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n/an/a 478n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility s...


Bioorg Med Chem 24: 1495-503 (2016)


Article DOI: 10.1016/j.bmc.2016.02.017
BindingDB Entry DOI: 10.7270/Q2KS6TCZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50148025
PNG
(CHEMBL3763360)
Show SMILES COc1ccc(\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)cc1 |r|
Show InChI InChI=1S/C28H24ClFN4O4/c1-36-19-6-2-17(3-7-19)4-9-27(35)34-25-13-21-24(14-26(25)38-20-10-11-37-15-20)31-16-32-28(21)33-18-5-8-23(30)22(29)12-18/h2-9,12-14,16,20H,10-11,15H2,1H3,(H,34,35)(H,31,32,33)/b9-4+/t20-/m0/s1
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Article
PubMed
n/an/a 886n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility s...


Bioorg Med Chem 24: 1495-503 (2016)


Article DOI: 10.1016/j.bmc.2016.02.017
BindingDB Entry DOI: 10.7270/Q2KS6TCZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%