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BDBM3085 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one::PD 166285 analog::PD166326

SMILES: Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O

InChI Key: InChIKey=ZIQFYVPVJZEOFS-UHFFFAOYSA-N

Data: 13 IC50

PDB links: 4 PDB IDs match this monomer.

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 13 hits for monomerid = 3085   
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))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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PubMed
n/an/a 210n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 80n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 6n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 90n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 5.68n/an/an/an/a7.525



Parke-Davis Pharmaceutical Research



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...


Biochem Pharmacol 60: 885-98 (2000)


Article DOI: 10.1016/s0006-2952(00)00405-6
BindingDB Entry DOI: 10.7270/Q2MC8X7B
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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Article
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n/an/a 61.5n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



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...


Biochem Pharmacol 60: 885-98 (2000)


Article DOI: 10.1016/s0006-2952(00)00405-6
BindingDB Entry DOI: 10.7270/Q2MC8X7B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 43n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


Bioorg Med Chem Lett 19: 6872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a<5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The kinase activity was measured by DELFIA/time-resolved fluorometry. The reaction was carried out in 96-well polypropylene plates and was terminated...


Biochem Pharmacol 60: 885-98 (2000)


Article DOI: 10.1016/s0006-2952(00)00405-6
BindingDB Entry DOI: 10.7270/Q2MC8X7B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 82n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



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...


Biochem Pharmacol 60: 885-98 (2000)


Article DOI: 10.1016/s0006-2952(00)00405-6
BindingDB Entry DOI: 10.7270/Q2MC8X7B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 140n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha


Bioorg Med Chem Lett 19: 6872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 2.80n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Abl


Bioorg Med Chem Lett 19: 6872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 636n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-Kit


Bioorg Med Chem Lett 19: 6872-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.085
BindingDB Entry DOI: 10.7270/Q2R49QV4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM3085
PNG
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)
Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
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Article
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n/an/a 139n/an/an/an/a7.425



Parke-Davis Pharmaceutical Research



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...


Biochem Pharmacol 60: 885-98 (2000)


Article DOI: 10.1016/s0006-2952(00)00405-6
BindingDB Entry DOI: 10.7270/Q2MC8X7B
More data for this
Ligand-Target Pair