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Compile Data Set for Download or QSAR

Found 2320 hits of ic50 for UniProtKB: Q05397   
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
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50513279
PNG
(CHEMBL4554455)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)ncc1C(F)(F)F
Show InChI InChI=1S/C29H33F3N8O2S2/c1-33-25(41)21-6-4-5-7-23(21)36-24-22(29(30,31)32)18-34-27(37-24)35-20-10-8-19(9-11-20)26(42)39-12-14-40(15-13-39)28(43)44-17-16-38(2)3/h4-11,18H,12-17H2,1-3H3,(H,33,41)(H2,34,35,36,37)
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n/an/a 0.0700n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl...

Eur J Med Chem 177: 32-46 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.048
BindingDB Entry DOI: 10.7270/Q2XS5ZQT
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590475
PNG
(CHEMBL5170906)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCSCC3)cc2)ncc1Cl
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n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590490
PNG
(CHEMBL5198068)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCC(CC3)C(=O)NCCCCCC(=O)NO)cc2)ncc1Cl
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n/an/a 0.108n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590479
PNG
(CHEMBL5196177)
Show SMILES CCOP(=O)(CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1)OCC
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n/an/a 0.117n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590489
PNG
(CHEMBL5176233)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(=O)NCCCCCC(=O)NO)cc2)ncc1Cl
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n/an/a 0.124n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590488
PNG
(CHEMBL5206909)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCC(=O)NO)ncc1Cl
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n/an/a 0.153n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590483
PNG
(CHEMBL5187385)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(NC(=O)CN3CCC(CC3)C(O)=O)cc2)ncc1Cl
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n/an/a 0.161n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590484
PNG
(CHEMBL5190968)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(=O)NCCO)cc2)ncc1Cl
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n/an/a 0.192n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590485
PNG
(CHEMBL5177776)
Show SMILES CCC(C)C(CO)NC(=O)C1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1
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n/an/a 0.194n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590474
PNG
(CHEMBL5176990)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CO)CC3)cc2)ncc1Cl
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n/an/a 0.213n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590477
PNG
(CHEMBL5204729)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(OCC(=O)N3CCOCC3)cc2)ncc1Cl
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n/an/a 0.275n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590482
PNG
(CHEMBL5186801)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCC(CC3)C(O)=O)cc2)ncc1Cl
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n/an/a 0.296n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM155552
PNG
(US9012461, 28)
Show SMILES CN1CCc2cc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)ccc2C1
Show InChI InChI=1S/C25H26F3N5O/c1-33-11-10-18-12-20(8-6-19(18)15-33)31-24-30-14-21(25(26,27)28)22(32-24)9-7-16-4-2-3-5-17(16)13-23(29)34/h2-6,8,12,14H,7,9-11,13,15H2,1H3,(H2,29,34)(H,30,31,32)
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US Patent
n/an/a 0.300n/an/an/an/a7.4n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...

US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590476
PNG
(CHEMBL5178369)
Show SMILES CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1)OCC
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n/an/a 0.315n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590487
PNG
(CHEMBL5199835)
Show SMILES COC(=O)CCCCCNC(=O)C1CCN(CC(=O)Nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1
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n/an/a 0.315n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM155547
PNG
(US9012461, 23)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H30F3N5O2/c1-18(37)36-14-12-21(13-15-36)20-6-9-23(10-7-20)34-27-33-17-24(28(29,30)31)25(35-27)11-8-19-4-2-3-5-22(19)16-26(32)38/h2-7,9-10,17,21H,8,11-16H2,1H3,(H2,32,38)(H,33,34,35)
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US Patent
n/an/a 0.390n/an/an/an/a7.4n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...

US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50568532
PNG
(CHEMBL4742157)
Show SMILES CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01248
BindingDB Entry DOI: 10.7270/Q24T6P31
More data for this
Ligand-Target Pair
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))		BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a<0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant FAK (unknown origin) by radiometric kinase assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00459
BindingDB Entry DOI: 10.7270/Q2TT4VSH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50207359
PNG
(CHEMBL3892377)
Show SMILES CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2cccc(Br)c2)ncc1C(F)(F)F
Show InChI InChI=1S/C21H20BrF3N6O2S/c1-3-10-31(34(2,32)33)19-14(6-5-9-26-19)12-27-18-17(21(23,24)25)13-28-20(30-18)29-16-8-4-7-15(22)11-16/h3-9,11,13H,1,10,12H2,2H3,(H2,27,28,29,30)
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n/an/a 0.510n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(G...

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50207351
PNG
(CHEMBL3965256)
Show SMILES CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2ccc(N3CCOCC3)c(Br)c2)ncc1C(F)(F)F
Show InChI InChI=1S/C25H27BrF3N7O3S/c1-3-9-36(40(2,37)38)23-17(5-4-8-30-23)15-31-22-19(25(27,28)29)16-32-24(34-22)33-18-6-7-21(20(26)14-18)35-10-12-39-13-11-35/h3-8,14,16H,1,9-13,15H2,2H3,(H2,31,32,33,34)
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n/an/a 0.510n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(G...

Bioorg Med Chem Lett 26: 5926-5930 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.092
BindingDB Entry DOI: 10.7270/Q2ST7RTJ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50592745
PNG
(CHEMBL5188373)
Show SMILES COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
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n/an/a 0.510n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116907
BindingDB Entry DOI: 10.7270/Q2J96BC1
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590486
PNG
(CHEMBL5177168)
Show SMILES COC(=O)CCCCCNC(=O)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1
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n/an/a 0.514n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50590473
PNG
(CHEMBL5192604)
Show SMILES CCOC(=O)C1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)CC1
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n/an/a 0.579n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50554439
PNG
(CHEMBL4752642)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)C=C)c(=O)c3=O)cc2)ncc1Cl
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01059
BindingDB Entry DOI: 10.7270/Q2F193CK
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50554439
PNG
(CHEMBL4752642)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)C=C)c(=O)c3=O)cc2)ncc1Cl
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin)

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01248
BindingDB Entry DOI: 10.7270/Q24T6P31
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM418609
PNG
(N-methyl-4-({4-[({2- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3N7O3S/c1-25-19(32)13-6-8-15(9-7-13)29-20-28-12-16(21(22,23)24)17(30-20)27-11-14-5-4-10-26-18(14)31(2)35(3,33)34/h4-10,12H,11H2,1-3H3,(H,25,32)(H2,27,28,29,30)
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FAK

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01248
BindingDB Entry DOI: 10.7270/Q24T6P31
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 0.600n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAK

Eur J Med Chem 177: 32-46 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.048
BindingDB Entry DOI: 10.7270/Q2XS5ZQT
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM155537
PNG
(US9012461, 13)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)35-12-14-36(15-13-35)22-9-7-21(8-10-22)33-26-32-17-23(27(28,29)30)24(34-26)11-6-19-4-2-3-5-20(19)16-25(31)38/h2-5,7-10,17H,6,11-16H2,1H3,(H2,31,38)(H,32,33,34)
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n/an/a 0.600n/an/an/an/a7.4n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...

US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 0.630n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113978
BindingDB Entry DOI: 10.7270/Q2XP7908
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM155548
PNG
(US9012461, 24)
Show SMILES CC(=O)C1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H30F3N5O2/c1-18(37)19-12-14-36(15-13-19)23-9-7-22(8-10-23)34-27-33-17-24(28(29,30)31)25(35-27)11-6-20-4-2-3-5-21(20)16-26(32)38/h2-5,7-10,17,19H,6,11-16H2,1H3,(H2,32,38)(H,33,34,35)
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n/an/a 0.770n/an/an/an/a7.4n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...

US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM155544
PNG
(US9012461, 20)
Show SMILES NC1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H29F3N6O/c27-26(28,29)22-16-32-25(33-20-6-8-21(9-7-20)35-13-11-19(30)12-14-35)34-23(22)10-5-17-3-1-2-4-18(17)15-24(31)36/h1-4,6-9,16,19H,5,10-15,30H2,(H2,31,36)(H,32,33,34)
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n/an/a 0.810n/an/an/an/a7.4n/a



Cancer Therapeutics CRC Pty Ltd

US Patent


Assay Description
A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...

US Patent US9012461 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36K7
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))		BDBM50590481
PNG
(CHEMBL5180558)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCC(CC2)C(O)=O)ncc1Cl
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n/an/a 0.976n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114607
BindingDB Entry DOI: 10.7270/Q2W95F59
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134156
PNG
(US8846689, 158)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4CN(OC)C(=O)c34)n2)cc1F |r|
Show InChI InChI=1S/C28H30ClFN6O6/c1-35-9-8-19(23(14-35)40-3)32-25(37)16-10-22(39-2)20(11-18(16)30)33-28-31-12-17(29)26(34-28)42-21-7-5-6-15-13-36(41-4)27(38)24(15)21/h5-7,10-12,19,23H,8-9,13-14H2,1-4H3,(H,32,37)(H,31,33,34)/t19-,23+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134157
PNG
(US8846689, 159)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4[C@@H](C)N(C)C(=O)c34)n2)cc1Cl |r|
Show InChI InChI=1S/C29H32Cl2N6O5/c1-15-16-7-6-8-22(25(16)28(39)37(15)3)42-27-19(31)13-32-29(35-27)34-21-12-18(30)17(11-23(21)40-4)26(38)33-20-9-10-36(2)14-24(20)41-5/h6-8,11-13,15,20,24H,9-10,14H2,1-5H3,(H,33,38)(H,32,34,35)/t15-,20-,24+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134158
PNG
(US8846689, 160)
Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3[C@@H](C)N(C)C(=O)c23)n1 |r|
Show InChI InChI=1S/C28H29Cl2FN6O4/c1-14-15-6-5-7-22(24(15)27(39)37(14)3)41-26-18(30)12-32-28(35-26)34-21-11-17(29)16(10-23(21)40-4)25(38)33-20-8-9-36(2)13-19(20)31/h5-7,10-12,14,19-20H,8-9,13H2,1-4H3,(H,33,38)(H,32,34,35)/t14-,19-,20+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134159
PNG
(US8846689, 161)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4[C@H](C)N(C)C(=O)c34)n2)cc1F |r|
Show InChI InChI=1S/C29H32ClFN6O5/c1-15-16-7-6-8-22(25(16)28(39)37(15)3)42-27-18(30)13-32-29(35-27)34-21-12-19(31)17(11-23(21)40-4)26(38)33-20-9-10-36(2)14-24(20)41-5/h6-8,11-13,15,20,24H,9-10,14H2,1-5H3,(H,33,38)(H,32,34,35)/t15-,20+,24-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134160
PNG
(US8846689, 162)
Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3[C@@H](C)N(C)C(=O)c23)n1 |r|
Show InChI InChI=1S/C28H29ClF2N6O4/c1-14-15-6-5-7-22(24(15)27(39)37(14)3)41-26-17(29)12-32-28(35-26)34-21-11-18(30)16(10-23(21)40-4)25(38)33-20-8-9-36(2)13-19(20)31/h5-7,10-12,14,19-20H,8-9,13H2,1-4H3,(H,33,38)(H,32,34,35)/t14-,19-,20+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134161
PNG
(US8846689, 163)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4[C@@H](C)N(C)C(=O)c34)n2)cc1F |r|
Show InChI InChI=1S/C29H32ClFN6O5/c1-15-16-7-6-8-22(25(16)28(39)37(15)3)42-27-18(30)13-32-29(35-27)34-21-12-19(31)17(11-23(21)40-4)26(38)33-20-9-10-36(2)14-24(20)41-5/h6-8,11-13,15,20,24H,9-10,14H2,1-5H3,(H,33,38)(H,32,34,35)/t15-,20-,24+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134162
PNG
(US8846689, 164)
Show SMILES CCN1CC[C@H](NC(=O)c2cc(OC)c(Nc3ncc(Cl)c(Oc4cccc5[C@H](C)N(C)C(=O)c45)n3)cc2F)[C@H](F)C1 |r|
Show InChI InChI=1S/C29H31ClF2N6O4/c1-5-38-10-9-21(20(32)14-38)34-26(39)17-11-24(41-4)22(12-19(17)31)35-29-33-13-18(30)27(36-29)42-23-8-6-7-16-15(2)37(3)28(40)25(16)23/h6-8,11-13,15,20-21H,5,9-10,14H2,1-4H3,(H,34,39)(H,33,35,36)/t15-,20+,21-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134164
PNG
(US8846689, 166)
Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3[C@H](C)N(C)C(=O)c23)n1 |r|
Show InChI InChI=1S/C28H29ClF2N6O4/c1-14-15-6-5-7-22(24(15)27(39)37(14)3)41-26-17(29)12-32-28(35-26)34-21-11-18(30)16(10-23(21)40-4)25(38)33-20-8-9-36(2)13-19(20)31/h5-7,10-12,14,19-20H,8-9,13H2,1-4H3,(H,33,38)(H,32,34,35)/t14-,19+,20-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134166
PNG
(US8846689, 168)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4CN(C)C(=O)c34)n2)cc1F |r|
Show InChI InChI=1S/C28H30ClFN6O5/c1-35-9-8-19(23(14-35)40-4)32-25(37)16-10-22(39-3)20(11-18(16)30)33-28-31-12-17(29)26(34-28)41-21-7-5-6-15-13-36(2)27(38)24(15)21/h5-7,10-12,19,23H,8-9,13-14H2,1-4H3,(H,32,37)(H,31,33,34)/t19-,23+/m1/s1
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US Patent
n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134167
PNG
(US8846689, 169)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4CN(C)C(=O)c34)n2)cc1C |r|
Show InChI InChI=1S/C29H33ClN6O5/c1-16-11-21(23(39-4)12-18(16)26(37)32-20-9-10-35(2)15-24(20)40-5)33-29-31-13-19(30)27(34-29)41-22-8-6-7-17-14-36(3)28(38)25(17)22/h6-8,11-13,20,24H,9-10,14-15H2,1-5H3,(H,32,37)(H,31,33,34)/t20-,24+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134168
PNG
(US8846689, 170)
Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3CN(C)C(=O)c23)n1 |r|
Show InChI InChI=1S/C28H30ClFN6O4/c1-15-10-21(23(39-4)11-17(15)25(37)32-20-8-9-35(2)14-19(20)30)33-28-31-12-18(29)26(34-28)40-22-7-5-6-16-13-36(3)27(38)24(16)22/h5-7,10-12,19-20H,8-9,13-14H2,1-4H3,(H,32,37)(H,31,33,34)/t19-,20+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134170
PNG
(US8846689, 172)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4c3C(=O)N(C)C4(C)C)n2)cc1C |r|
Show InChI InChI=1S/C31H37ClN6O5/c1-17-13-22(24(41-6)14-18(17)27(39)34-21-11-12-37(4)16-25(21)42-7)35-30-33-15-20(32)28(36-30)43-23-10-8-9-19-26(23)29(40)38(5)31(19,2)3/h8-10,13-15,21,25H,11-12,16H2,1-7H3,(H,34,39)(H,33,35,36)/t21-,25+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134171
PNG
(US8846689, 173)
Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 |r|
Show InChI InChI=1S/C30H34ClFN6O4/c1-16-12-22(24(41-6)13-17(16)26(39)34-21-10-11-37(4)15-20(21)32)35-29-33-14-19(31)27(36-29)42-23-9-7-8-18-25(23)28(40)38(5)30(18,2)3/h7-9,12-14,20-21H,10-11,15H2,1-6H3,(H,34,39)(H,33,35,36)/t20-,21+/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134178
PNG
(US8846689, 180)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F)C(=O)NC1CCN(CCO)CC1
Show InChI InChI=1S/C29H31F3N6O5/c1-37-16-18-4-3-5-22(24(18)27(37)41)43-26-20(29(30,31)32)15-33-28(36-26)35-21-7-6-17(14-23(21)42-2)25(40)34-19-8-10-38(11-9-19)12-13-39/h3-7,14-15,19,39H,8-13,16H2,1-2H3,(H,34,40)(H,33,35,36)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134179
PNG
(US8846689, 181)
Show SMILES CONC(=O)c1ccc(Nc2ncc(c(Oc3cccc4CN(C)C(=O)c34)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C23H20F3N5O5/c1-31-11-13-5-4-6-16(18(13)21(31)33)36-20-14(23(24,25)26)10-27-22(29-20)28-15-8-7-12(9-17(15)34-2)19(32)30-35-3/h4-10H,11H2,1-3H3,(H,30,32)(H,27,28,29)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM134182
PNG
(US8846689, 184)
Show SMILES CN1Cc2cccc(Oc3nc(Nc4ccc(cc4C)C(=O)NC4CCN(CCO)CC4)ncc3C(F)(F)F)c2C1=O
Show InChI InChI=1S/C29H31F3N6O4/c1-17-14-18(25(40)34-20-8-10-38(11-9-20)12-13-39)6-7-22(17)35-28-33-15-21(29(30,31)32)26(36-28)42-23-5-3-4-19-16-37(2)27(41)24(19)23/h3-7,14-15,20,39H,8-13,16H2,1-2H3,(H,34,40)(H,33,35,36)
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n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...

US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair
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