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BDBM3431 3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea::6-arylpyrido[2,3-d]pyrimidine deriv. 13::CHEMBL299026

SMILES: CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=ULIJLYCJYRQKBG-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 3431   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM3431
PNG
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)
Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.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,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35)
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Article
PubMed
n/an/a 660n/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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM3431
PNG
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)
Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.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,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35)
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Article
PubMed
n/an/a 82n/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))
BDBM3431
PNG
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)
Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.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,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35)
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Article
PubMed
n/an/a 73n/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
Insulin receptor


(Homo sapiens (Human))
BDBM3431
PNG
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)
Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.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,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35)
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Article
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n/an/a>5.00E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (InsR) 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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3431
PNG
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)
Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.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,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35)
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Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) 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))
BDBM3431
PNG
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)
Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.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,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35)
PDB
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KEGG

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Article
PubMed
n/an/a 73n/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