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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM3433'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3433
PNG
(1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyri...)
Show SMILES Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)|
Show InChI InChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)
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KEGG

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Article
PubMed
n/an/a 110n/an/an/an/a7.425



Pfizer



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 44: 1915-26 (2001)


Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3433
PNG
(1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyri...)
Show SMILES Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)|
Show InChI InChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC sid
UniChem

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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of C-src tyrosine kinase


J Med Chem 40: 2296-303 (1997)


Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3433
PNG
(1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyri...)
Show SMILES Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)|
Show InChI InChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 110n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The kinase activity is the enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to the poly (E: Y) subs...


Bioorg Med Chem Lett 7: 2415-20 (1997)


Article DOI: 10.1074/jbc.M606873200
BindingDB Entry DOI: 10.7270/Q28C9TF2
More data for this
Ligand-Target Pair