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BDBM6572 6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one::6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one::PD-180970::PD180970

SMILES: Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F

InChI Key: InChIKey=SLCFEJAMCRLYRG-UHFFFAOYSA-N

Data: 5 IC50  12 Kd

PDB links: 1 PDB ID matches 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 17 hits for monomerid = 6572   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/a 16.8n/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
Tyrosine Kinase c-Kit Mutant (V559D/T670I)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 3.00E+3n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/a 1.43E+3n/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
SRC


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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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))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/a 390n/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
ABL


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 1n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL Mutant (Q252H)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 2n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL Mutant (Y253F)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 1n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL Mutant (E255K)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 4n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL Mutant (M351T)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 0.700n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL Mutant (F359V)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 1n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL Mutant (H396P)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 1n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL Mutant (T315I)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 600n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ABL Mutant (T315N)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 300n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine Kinase c-Kit Mutant (N822K)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 4n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
Tyrosine Kinase c-Kit Mutant (V559D)


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/an/a 1n/an/an/an/an/a



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM6572
PNG
(6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...)
Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F
Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
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n/an/a 934n/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