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Compile Data Set for Download or QSAR

Found 5 hits of Enz. Inhib. data with enzyme = 'Epidermal growth factor receptor' and Substrate = 'EGFR Substrate'   
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


(Homo sapiens (human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM6416
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM6417
PNG
(4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H20ClN5O/c20-15-4-3-5-16(9-15)24-19-13-22-12-18(25-19)14-8-17(11-21-10-14)23-6-1-2-7-26/h3-5,8-13,23,26H,1-2,6-7H2,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM6418
PNG
(N-(3-chlorophenyl)-6-(5-{[2-(dimethylamino)ethyl]a...)
Show SMILES CN(C)CCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H21ClN6/c1-26(2)7-6-23-17-8-14(10-21-11-17)18-12-22-13-19(25-18)24-16-5-3-4-15(20)9-16/h3-5,8-13,23H,6-7H2,1-2H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM6419
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(3-pyridinyl)propyl]am...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3cccnc3)c2)c1
Show InChI InChI=1S/C23H21ClN6/c24-19-6-1-7-20(11-19)29-23-16-27-15-22(30-23)18-10-21(14-26-13-18)28-9-3-5-17-4-2-8-25-12-17/h1-2,4,6-8,10-16,28H,3,5,9H2,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair