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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P00533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor [1-745,747-749,751-1210]


(Homo sapiens (Human))
BDBM373725
PNG
(US10246444, Example 98)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r|
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-745,747-749,751-1210]


(Homo sapiens (Human))
BDBM373724
PNG
(US10246444, Example 95)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r|
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-745,747-749,751-1210]


(Homo sapiens (Human))
BDBM373723
PNG
(US10246444, Example 90)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1 |r|
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-745,747-749,751-1210]


(Homo sapiens (Human))
BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1 |r|
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair