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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'ung' and Initial = 'ej'   
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
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246239
PNG
(CHEMBL487229 | N-methyl-N-(2-((2-(1-oxoisoindolin-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)10-26-19-17(22(23,24)25)12-28-21(30-19)29-15-7-8-16-14(9-15)11-27-20(16)32/h3-9,12H,10-11H2,1-2H3,(H,27,32)(H2,26,28,29,30)
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246286
PNG
(CHEMBL488247 | N-methyl-N-(2-((2-(4-(methylsulfony...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H22F3N5O4S2/c1-29(35(3,32)33)18-7-5-4-6-14(18)12-25-19-17(21(22,23)24)13-26-20(28-19)27-15-8-10-16(11-9-15)34(2,30)31/h4-11,13H,12H2,1-3H3,(H2,25,26,27,28)
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n/an/a 0.940n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246378
PNG
(CHEMBL452341 | N-(2-{[2-(2,2-Dioxo-2,3-dihydro-1H-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H21F3N6O4S2/c1-30(35(2,31)32)18-6-4-3-5-13(18)10-25-19-16(21(22,23)24)11-26-20(28-19)27-15-7-8-17-14(9-15)12-36(33,34)29-17/h3-9,11,29H,10,12H2,1-2H3,(H2,25,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | D3RKN_6 | N-methyl-N...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246140
PNG
(CHEMBL513744 | D3RKN_5 | N-methyl-N-(3-((2-(2-oxoi...)
Show SMILES CN(c1cccc(CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)c1)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)16-5-3-4-13(8-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(9-15)10-19(32)29-18/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246378
PNG
(CHEMBL452341 | N-(2-{[2-(2,2-Dioxo-2,3-dihydro-1H-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H21F3N6O4S2/c1-30(35(2,31)32)18-6-4-3-5-13(18)10-25-19-16(21(22,23)24)11-26-20(28-19)27-15-7-8-17-14(9-15)12-36(33,34)29-17/h3-9,11,29H,10,12H2,1-2H3,(H2,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin)

J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246239
PNG
(CHEMBL487229 | N-methyl-N-(2-((2-(1-oxoisoindolin-...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)10-26-19-17(22(23,24)25)12-28-21(30-19)29-15-7-8-16-14(9-15)11-27-20(16)32/h3-9,12H,10-11H2,1-2H3,(H,27,32)(H2,26,28,29,30)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246330
PNG
(1-{6-[4-((1R,2R)-2-Dimethylamino-cyclopentylamino)...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3C4CCC(N4C(C)=O)c3c2)ncc1C(F)(F)F |r,TLB:26:25:19.18:21,THB:15:16:19.18:21,22:21:19.18:16.25|
Show InChI InChI=1S/C24H29F3N6O/c1-13(34)33-19-9-10-20(33)16-11-14(7-8-15(16)19)29-23-28-12-17(24(25,26)27)22(31-23)30-18-5-4-6-21(18)32(2)3/h7-8,11-12,18-21H,4-6,9-10H2,1-3H3,(H2,28,29,30,31)/t18-,19?,20?,21-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246187
PNG
(5-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C21H18F3N5O3S/c1-33(31,32)15-4-2-3-12(7-15)10-25-19-16(21(22,23)24)11-26-20(29-19)27-14-5-6-17-13(8-14)9-18(30)28-17/h2-8,11H,9-10H2,1H3,(H,28,30)(H2,25,26,27,29)
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 11n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human A431 cells by ELISA

J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246188
PNG
(5-(4-(2-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O3S/c1-33(31,32)17-5-3-2-4-12(17)10-25-19-15(21(22,23)24)11-26-20(29-19)27-14-6-7-16-13(8-14)9-18(30)28-16/h2-8,11H,9-10H2,1H3,(H,28,30)(H2,25,26,27,29)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246096
PNG
(CHEMBL471526 | N2-(1H-indazol-5-yl)-N4-(pyridin-2-...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C18H14F3N7/c19-18(20,21)14-10-24-17(26-12-4-5-15-11(7-12)8-25-28-15)27-16(14)23-9-13-3-1-2-6-22-13/h1-8,10H,9H2,(H,25,28)(H2,23,24,26,27)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246189
PNG
(5-(4-(2-(pyrrolidin-1-ylsulfonyl)benzylamino)-5-(t...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C24H23F3N6O3S/c25-24(26,27)18-14-29-23(30-17-7-8-19-16(11-17)12-21(34)31-19)32-22(18)28-13-15-5-1-2-6-20(15)37(35,36)33-9-3-4-10-33/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,31,34)(H2,28,29,30,32)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246139
PNG
(5-(4-(pyridin-2-ylmethylamino)-5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C19H15F3N6O/c20-19(21,22)14-10-25-18(28-17(14)24-9-13-3-1-2-6-23-13)26-12-4-5-15-11(7-12)8-16(29)27-15/h1-7,10H,8-9H2,(H,27,29)(H2,24,25,26,28)
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246284
PNG
(CHEMBL487057 | N4-((1R,2R)-2-Dimethylamino-cyclope...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CN(C)S3(=O)=O)c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C20H25F3N6O2S/c1-28(2)16-6-4-5-15(16)26-18-14(20(21,22)23)10-24-19(27-18)25-13-7-8-17-12(9-13)11-29(3)32(17,30)31/h7-10,15-16H,4-6,11H2,1-3H3,(H2,24,25,26,27)/t15-,16-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 30n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human FG cells after 60 mins by western blot analysis

J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | D3RKN_6 | N-methyl-N...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Pyk2 (unknown origin) by fluorescence polarization assay

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246238
PNG
(7-(4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidi...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)CCCc3c2)nc1NC1CCC1
Show InChI InChI=1S/C19H20F3N5O/c20-19(21,22)14-10-23-18(27-17(14)24-12-4-2-5-12)25-13-7-8-15-11(9-13)3-1-6-16(28)26-15/h7-10,12H,1-6H2,(H,26,28)(H2,23,24,25,27)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246058
PNG
(5-(4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccc1
Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)15-11-25-19(28-18(15)24-10-12-4-2-1-3-5-12)26-14-6-7-16-13(8-14)9-17(29)27-16/h1-8,11H,9-10H2,(H,27,29)(H2,24,25,26,28)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246286
PNG
(CHEMBL488247 | N-methyl-N-(2-((2-(4-(methylsulfony...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H22F3N5O4S2/c1-29(35(3,32)33)18-7-5-4-6-14(18)12-25-19-17(21(22,23)24)13-26-20(28-19)27-15-8-10-16(11-9-15)34(2,30)31/h4-11,13H,12H2,1-3H3,(H2,25,26,27,28)
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n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246237
PNG
(6-(4-(pyridin-2-ylmethylamino)-5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)CCc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)15-11-26-19(29-18(15)25-10-14-3-1-2-8-24-14)27-13-5-6-16-12(9-13)4-7-17(30)28-16/h1-3,5-6,8-9,11H,4,7,10H2,(H,28,30)(H2,25,26,27,29)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246137
PNG
(5-(5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-...)
Show SMILES Brc1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C18H15BrN6O/c19-14-10-22-18(25-17(14)21-9-13-3-1-2-6-20-13)23-12-4-5-15-11(7-12)8-16(26)24-15/h1-7,10H,8-9H2,(H,24,26)(H2,21,22,23,25)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246190
PNG
((R)-5-(4-(2-oxoazepan-3-ylamino)-5-(trifluoromethy...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1N[C@@H]1CCCCNC1=O |r|
Show InChI InChI=1S/C19H19F3N6O2/c20-19(21,22)12-9-24-18(25-11-4-5-13-10(7-11)8-15(29)26-13)28-16(12)27-14-3-1-2-6-23-17(14)30/h4-5,7,9,14H,1-3,6,8H2,(H,23,30)(H,26,29)(H2,24,25,27,28)/t14-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 50n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human SKOV3 cells after 60 mins by western blot analysis

J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246379
PNG
(CHEMBL452342 | N4-((1R,2R)-2-Dimethylamino-cyclope...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H23F3N6O2S/c1-28(2)16-5-3-4-15(16)25-17-13(19(20,21)22)9-23-18(26-17)24-12-6-7-14-11(8-12)10-31(29,30)27-14/h6-9,15-16,27H,3-5,10H2,1-2H3,(H2,23,24,25,26)/t15-,16-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246236
PNG
(5-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C20H23F3N6O/c1-29(2)16-5-3-4-15(16)27-18-13(20(21,22)23)10-24-19(28-18)25-12-6-7-14-11(8-12)9-17(30)26-14/h6-8,10,15-16H,3-5,9H2,1-2H3,(H,26,30)(H2,24,25,27,28)/t15-,16-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246188
PNG
(5-(4-(2-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O3S/c1-33(31,32)17-5-3-2-4-12(17)10-25-19-15(21(22,23)24)11-26-20(29-19)27-14-6-7-16-13(8-14)9-18(30)28-16/h2-8,11H,9-10H2,1H3,(H,28,30)(H2,25,26,27,29)
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n/an/a 59n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246059
PNG
(CHEMBL472211 | N4-((1R,2R)-2-Dimethylamino-cyclope...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CCS3(=O)=O)c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C20H24F3N5O2S/c1-28(2)16-5-3-4-15(16)26-18-14(20(21,22)23)11-24-19(27-18)25-13-6-7-17-12(10-13)8-9-31(17,29)30/h6-7,10-11,15-16H,3-5,8-9H2,1-2H3,(H2,24,25,26,27)/t15-,16-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246330
PNG
(1-{6-[4-((1R,2R)-2-Dimethylamino-cyclopentylamino)...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3C4CCC(N4C(C)=O)c3c2)ncc1C(F)(F)F |r,TLB:26:25:19.18:21,THB:15:16:19.18:21,22:21:19.18:16.25|
Show InChI InChI=1S/C24H29F3N6O/c1-13(34)33-19-9-10-20(33)16-11-14(7-8-15(16)19)29-23-28-12-17(24(25,26)27)22(31-23)30-18-5-4-6-21(18)32(2)3/h7-8,11-12,18-21H,4-6,9-10H2,1-3H3,(H2,28,29,30,31)/t18-,19?,20?,21-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246099
PNG
(5-(5-chloro-4-(pyridin-2-ylmethylamino)pyrimidin-2...)
Show SMILES Clc1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(25-17(14)21-9-13-3-1-2-6-20-13)23-12-4-5-15-11(7-12)8-16(26)24-15/h1-7,10H,8-9H2,(H,24,26)(H2,21,22,23,25)
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n/an/a 77n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246285
PNG
(CHEMBL519418 | N4-((1R,2R)-2-(dimethylamino)cyclop...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3N5O2S/c1-27(2)16-6-4-5-15(16)25-17-14(19(20,21)22)11-23-18(26-17)24-12-7-9-13(10-8-12)30(3,28)29/h7-11,15-16H,4-6H2,1-3H3,(H2,23,24,25,26)/t15-,16-/m1/s1
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n/an/a 95n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 100n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human PC3 cells after 60 mins by western blot analysis

J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246058
PNG
(5-(4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccc1
Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)15-11-25-19(28-18(15)24-10-12-4-2-1-3-5-12)26-14-6-7-16-13(8-14)9-17(29)27-16/h1-8,11H,9-10H2,(H,27,29)(H2,24,25,26,28)
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246283
PNG
(7-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CCCNC3=O)c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C22H27F3N6O/c1-31(2)18-7-3-6-17(18)29-19-16(22(23,24)25)12-27-21(30-19)28-14-8-9-15-13(11-14)5-4-10-26-20(15)32/h8-9,11-12,17-18H,3-7,10H2,1-2H3,(H,26,32)(H2,27,28,29,30)/t17-,18-/m1/s1
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n/an/a 143n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246327
PNG
(4-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H25F3N6O2S/c1-23-31(29,30)13-9-7-12(8-10-13)25-18-24-11-14(19(20,21)22)17(27-18)26-15-5-4-6-16(15)28(2)3/h7-11,15-16,23H,4-6H2,1-3H3,(H2,24,25,26,27)/t15-,16-/m1/s1
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n/an/a 154n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246095
PNG
(CHEMBL470314 | N2-(1-methyl-1H-indol-5-yl)-N4-(pyr...)
Show SMILES Cn1ccc2cc(Nc3ncc(c(NCc4ccccn4)n3)C(F)(F)F)ccc12
Show InChI InChI=1S/C20H17F3N6/c1-29-9-7-13-10-14(5-6-17(13)29)27-19-26-12-16(20(21,22)23)18(28-19)25-11-15-4-2-3-8-24-15/h2-10,12H,11H2,1H3,(H2,25,26,27,28)
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n/an/a 160n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246189
PNG
(5-(4-(2-(pyrrolidin-1-ylsulfonyl)benzylamino)-5-(t...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C24H23F3N6O3S/c25-24(26,27)18-14-29-23(30-17-7-8-19-16(11-17)12-21(34)31-19)32-22(18)28-13-15-5-1-2-6-20(15)37(35,36)33-9-3-4-10-33/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,31,34)(H2,28,29,30,32)
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n/an/a 170n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246140
PNG
(CHEMBL513744 | D3RKN_5 | N-methyl-N-(3-((2-(2-oxoi...)
Show SMILES CN(c1cccc(CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)c1)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)16-5-3-4-13(8-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(9-15)10-19(32)29-18/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 190n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246138
PNG
(2-(2-oxoindolin-5-ylamino)-4-(pyridin-2-ylmethylam...)
Show SMILES O=C1Cc2cc(Nc3ncc(C#N)c(NCc4ccccn4)n3)ccc2N1
Show InChI InChI=1S/C19H15N7O/c20-9-13-10-23-19(26-18(13)22-11-15-3-1-2-6-21-15)24-14-4-5-16-12(7-14)8-17(27)25-16/h1-7,10H,8,11H2,(H,25,27)(H2,22,23,24,26)
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n/an/a 190n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 197n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human CDK7/cyclinH/MAT1

J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246237
PNG
(6-(4-(pyridin-2-ylmethylamino)-5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)CCc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)15-11-26-19(29-18(15)25-10-14-3-1-2-8-24-14)27-13-5-6-16-12(9-13)4-7-17(30)28-16/h1-3,5-6,8-9,11H,4,7,10H2,(H,28,30)(H2,25,26,27,29)
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n/an/a 210n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246190
PNG
((R)-5-(4-(2-oxoazepan-3-ylamino)-5-(trifluoromethy...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1N[C@@H]1CCCCNC1=O |r|
Show InChI InChI=1S/C19H19F3N6O2/c20-19(21,22)12-9-24-18(25-11-4-5-13-10(7-11)8-15(29)26-13)28-16(12)27-14-3-1-2-6-23-17(14)30/h4-5,7,9,14H,1-3,6,8H2,(H,23,30)(H,26,29)(H2,24,25,27,28)/t14-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 300n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of FAK Tyr397 phosphorylation in human L3.6pl cells after 60 mins by western blot analysis

J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50269948
PNG
(6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluorom...)
Show SMILES CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
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n/an/a 486n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinB

J Biol Chem 282: 14845-52 (2007)


Article DOI: 10.1074/jbc.M606695200
BindingDB Entry DOI: 10.7270/Q2J67GQH
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246137
PNG
(5-(5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-...)
Show SMILES Brc1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C18H15BrN6O/c19-14-10-22-18(25-17(14)21-9-13-3-1-2-6-20-13)23-12-4-5-15-11(7-12)8-16(26)24-15/h1-7,10H,8-9H2,(H,24,26)(H2,21,22,23,25)
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n/an/a 580n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246096
PNG
(CHEMBL471526 | N2-(1H-indazol-5-yl)-N4-(pyridin-2-...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C18H14F3N7/c19-18(20,21)14-10-24-17(26-12-4-5-15-11(7-12)8-25-28-15)27-16(14)23-9-13-3-1-2-6-22-13/h1-8,10H,9H2,(H,25,28)(H2,23,24,26,27)
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n/an/a 600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246059
PNG
(CHEMBL472211 | N4-((1R,2R)-2-Dimethylamino-cyclope...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(CCS3(=O)=O)c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C20H24F3N5O2S/c1-28(2)16-5-3-4-15(16)26-18-14(20(21,22)23)11-24-19(27-18)25-13-6-7-17-12(10-13)8-9-31(17,29)30/h6-7,10-11,15-16H,3-5,8-9H2,1-2H3,(H2,24,25,26,27)/t15-,16-/m1/s1
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n/an/a 623n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50246379
PNG
(CHEMBL452342 | N4-((1R,2R)-2-Dimethylamino-cyclope...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3NS(=O)(=O)Cc3c2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H23F3N6O2S/c1-28(2)16-5-3-4-15(16)25-17-13(19(20,21)22)9-23-18(26-17)24-12-6-7-14-11(8-12)10-31(29,30)27-14/h6-9,15-16,27H,3-5,10H2,1-2H3,(H2,23,24,25,26)/t15-,16-/m1/s1
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n/an/a>650n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FAK (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM50246139
PNG
(5-(4-(pyridin-2-ylmethylamino)-5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc1ccccn1
Show InChI InChI=1S/C19H15F3N6O/c20-19(21,22)14-10-25-18(28-17(14)24-9-13-3-1-2-6-23-13)26-12-4-5-15-11(7-12)8-16(29)27-15/h1-7,10H,8-9H2,(H,27,29)(H2,24,25,26,28)
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n/an/a 680n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged pyk2 (unknown origin) assessed as inhibition of poly-Glu-Tyr phosphorylation

Bioorg Med Chem Lett 18: 6071-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.030
BindingDB Entry DOI: 10.7270/Q2C8295H
More data for this
Ligand-Target Pair
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