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Compile Data Set for Download or QSAR

Found 1791 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))
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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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))
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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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))
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))
BDBM50207359
PNG
(CHEMBL3892377)
Show SMILES CS(=O)(=O)N(CC=C)c1ncccc1CNc1nc(Nc2cccc(Br)c2)ncc1C(F)(F)F
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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
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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))
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))
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))
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM134184
PNG
(US8846689, 186)
Show SMILES COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(c(Oc3cccc4CN(C)C(=O)c34)n2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C30H33F3N6O4/c1-18-15-19(26(40)35-21-9-11-39(12-10-21)13-14-42-3)7-8-23(18)36-29-34-16-22(30(31,32)33)27(37-29)43-24-6-4-5-20-17-38(2)28(41)25(20)24/h4-8,15-16,21H,9-14,17H2,1-3H3,(H,35,40)(H,34,36,37)
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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))
BDBM134189
PNG
(US8846689, 191)
Show SMILES COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(c(Oc3cccc4CN(C)C(=O)c34)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C30H33F3N6O5/c1-38-17-19-5-4-6-23(25(19)28(38)41)44-27-21(30(31,32)33)16-34-29(37-27)36-22-8-7-18(15-24(22)43-3)26(40)35-20-9-11-39(12-10-20)13-14-42-2/h4-8,15-16,20H,9-14,17H2,1-3H3,(H,35,40)(H,34,36,37)
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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))
BDBM134190
PNG
(US8846689, 192)
Show SMILES CN1Cc2cccc(Oc3nc(Nc4ccc(cc4C)C(=O)NC4CCCN(C)C4)ncc3C(F)(F)F)c2C1=O
Show InChI InChI=1/C28H29F3N6O3/c1-16-12-17(24(38)33-19-7-5-11-36(2)15-19)9-10-21(16)34-27-32-13-20(28(29,30)31)25(35-27)40-22-8-4-6-18-14-37(3)26(39)23(18)22/h4,6,8-10,12-13,19H,5,7,11,14-15H2,1-3H3,(H,33,38)(H,32,34,35)
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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))
BDBM134062
PNG
(US8846689, 64)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F)C(=O)N[C@@H]1CCN(C)C[C@@H]1F |r|
Show InChI InChI=1/C28H28F4N6O4/c1-37-10-9-19(18(29)14-37)34-24(39)15-7-8-20(22(11-15)41-3)35-27-33-12-17(28(30,31)32)25(36-27)42-21-6-4-5-16-13-38(2)26(40)23(16)21/h4-8,11-12,18-19H,9-10,13-14H2,1-3H3,(H,34,39)(H,33,35,36)/t18-,19+/s2
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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))
BDBM134063
PNG
(US8846689, 65)
Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F |r|
Show InChI InChI=1/C28H27F5N6O4/c1-38-8-7-19(18(30)13-38)35-24(40)15-9-22(42-3)20(10-17(15)29)36-27-34-11-16(28(31,32)33)25(37-27)43-21-6-4-5-14-12-39(2)26(41)23(14)21/h4-6,9-11,18-19H,7-8,12-13H2,1-3H3,(H,35,40)(H,34,36,37)/t18-,19+/s2
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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))
BDBM134066
PNG
(US8846689, 68)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F
Show InChI InChI=1S/C28H28ClF3N6O4/c1-37-9-7-16(8-10-37)34-24(39)17-11-22(41-3)20(12-19(17)29)35-27-33-13-18(28(30,31)32)25(36-27)42-21-6-4-5-15-14-38(2)26(40)23(15)21/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,34,39)(H,33,35,36)
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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))
BDBM134067
PNG
(US8846689, 69)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F
Show InChI InChI=1S/C28H28F4N6O4/c1-37-9-7-16(8-10-37)34-24(39)17-11-22(41-3)20(12-19(17)29)35-27-33-13-18(28(30,31)32)25(36-27)42-21-6-4-5-15-14-38(2)26(40)23(15)21/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,34,39)(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))
BDBM134068
PNG
(US8846689, 70)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F)C(=O)N[C@H]1CCN(C)C[C@H]1F |r|
Show InChI InChI=1/C28H28F4N6O4/c1-37-10-9-19(18(29)14-37)34-24(39)15-7-8-20(22(11-15)41-3)35-27-33-12-17(28(30,31)32)25(36-27)42-21-6-4-5-16-13-38(2)26(40)23(16)21/h4-8,11-12,18-19H,9-10,13-14H2,1-3H3,(H,34,39)(H,33,35,36)/t18-,19+/s2
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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))
BDBM134076
PNG
(US8846689, 78)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc3CN(C)C(=O)c23)n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C27H29ClN6O4/c1-33-11-9-18(10-12-33)30-24(35)16-7-8-20(22(13-16)37-3)31-27-29-14-19(28)25(32-27)38-21-6-4-5-17-15-34(2)26(36)23(17)21/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,30,35)(H,29,31,32)
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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))
BDBM134079
PNG
(US8846689, 81)
Show SMILES CON1Cc2cccc(Oc3nc(Nc4cc(F)c(cc4OC)C(=O)NC4CCN(C)CC4)ncc3Cl)c2C1=O
Show InChI InChI=1S/C27H28ClFN6O5/c1-34-9-7-16(8-10-34)31-24(36)17-11-22(38-2)20(12-19(17)29)32-27-30-13-18(28)25(33-27)40-21-6-4-5-15-14-35(39-3)26(37)23(15)21/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,31,36)(H,30,32,33)
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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))
BDBM134086
PNG
(US8846689, 88)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3C(C)N(C)C(=O)c23)n1)C(F)(F)F)C(=O)N[C@H]1CCN(C)C[C@H]1F |r,w:20.22|
Show InChI InChI=1/C29H30F4N6O4/c1-15-17-6-5-7-22(24(17)27(41)39(15)3)43-26-18(29(31,32)33)13-34-28(37-26)36-21-9-8-16(12-23(21)42-4)25(40)35-20-10-11-38(2)14-19(20)30/h5-9,12-13,15,19-20H,10-11,14H2,1-4H3,(H,35,40)(H,34,36,37)/t15?,19-,20+/s2
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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))
BDBM134087
PNG
(US8846689, 89)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc3C(C)N(C)C(=O)c23)n1)N1CCN(C)CC1
Show InChI InChI=1/C26H29ClN6O3/c1-16-18-6-5-7-21(23(18)25(34)32(16)3)36-24-19(27)15-28-26(30-24)29-20-9-8-17(14-22(20)35-4)33-12-10-31(2)11-13-33/h5-9,14-16H,10-13H2,1-4H3,(H,28,29,30)
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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))
BDBM134090
PNG
(US8846689, 92)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3CN(C)C(=O)c23)n1
Show InChI InChI=1S/C27H28Cl2N6O4/c1-34-9-7-16(8-10-34)31-24(36)17-11-22(38-3)20(12-18(17)28)32-27-30-13-19(29)25(33-27)39-21-6-4-5-15-14-35(2)26(37)23(15)21/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,31,36)(H,30,32,33)
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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))
BDBM134091
PNG
(US8846689, 93)
Show SMILES COc1cc(CN(C)C)ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5O3/c1-31(2)12-14-8-9-17(19(10-14)34-4)29-23-28-11-16(24(25,26)27)21(30-23)35-18-7-5-6-15-13-32(3)22(33)20(15)18/h5-11H,12-13H2,1-4H3,(H,28,29,30)
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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))
BDBM134092
PNG
(US8846689, 94)
Show SMILES COc1cc(CN2CCCC2)ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F
Show InChI InChI=1S/C26H26F3N5O3/c1-33-15-17-6-5-7-20(22(17)24(33)35)37-23-18(26(27,28)29)13-30-25(32-23)31-19-9-8-16(12-21(19)36-2)14-34-10-3-4-11-34/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H,30,31,32)
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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))
BDBM134099
PNG
(US8846689, 101)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F)N1CCN(C)CC1
Show InChI InChI=1S/C26H27F3N6O3/c1-33-9-11-35(12-10-33)17-7-8-19(21(13-17)37-3)31-25-30-14-18(26(27,28)29)23(32-25)38-20-6-4-5-16-15-34(2)24(36)22(16)20/h4-8,13-14H,9-12,15H2,1-3H3,(H,30,31,32)
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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))
BDBM134102
PNG
(US8846689, 104)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3C(C)N(C)C(=O)c23)n1)C(F)(F)F)C(=O)NC1CCN(C)CC1 |w:20.22|
Show InChI InChI=1/C29H31F3N6O4/c1-16-19-6-5-7-22(24(19)27(40)38(16)3)42-26-20(29(30,31)32)15-33-28(36-26)35-21-9-8-17(14-23(21)41-4)25(39)34-18-10-12-37(2)13-11-18/h5-9,14-16,18H,10-13H2,1-4H3,(H,34,39)(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))
BDBM134103
PNG
(US8846689, 105)
Show SMILES COc1cc(O[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)ccc1Nc1ncc(c(Oc2cccc3C(C)N(C)C(=O)c23)n1)C(F)(F)F |r,w:30.34|
Show InChI InChI=1/C28H27F3N4O7/c1-13-15-5-4-6-19(22(15)26(37)35(13)2)42-25-16(28(29,30)31)10-32-27(34-25)33-17-8-7-14(9-20(17)38-3)41-21-12-40-23-18(36)11-39-24(21)23/h4-10,13,18,21,23-24,36H,11-12H2,1-3H3,(H,32,33,34)/t13?,18-,21-,23-,24-/s2
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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))
BDBM134109
PNG
(US8846689, 111)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(c(Oc2cccc3C(C)N(C)C(=O)c23)n1)C(F)(F)F |w:31.34|
Show InChI InChI=1/C29H30ClF3N6O4/c1-15-17-6-5-7-22(24(17)27(41)39(15)3)43-26-19(29(31,32)33)14-34-28(37-26)36-21-13-20(30)18(12-23(21)42-4)25(40)35-16-8-10-38(2)11-9-16/h5-7,12-16H,8-11H2,1-4H3,(H,35,40)(H,34,36,37)
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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))
BDBM134110
PNG
(US8846689, 112)
Show SMILES COc1cc(ccc1Nc1ncc(C#N)c(Oc2cccc3CCC(=O)c23)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N6O3/c1-31-10-12-32(13-11-31)19-7-8-20(23(14-19)34-2)29-26-28-16-18(15-27)25(30-26)35-22-5-3-4-17-6-9-21(33)24(17)22/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,28,29,30)
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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))
BDBM134112
PNG
(US8846689, 114)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(C#N)c(Oc2cccc3CCC(=O)c23)n1
Show InChI InChI=1S/C28H27ClN6O4/c1-35-10-8-18(9-11-35)32-26(37)19-12-24(38-2)21(13-20(19)29)33-28-31-15-17(14-30)27(34-28)39-23-5-3-4-16-6-7-22(36)25(16)23/h3-5,12-13,15,18H,6-11H2,1-2H3,(H,32,37)(H,31,33,34)
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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))
BDBM134113
PNG
(US8846689, 115)
Show SMILES CON1Cc2cccc(Oc3nc(Nc4cc(F)c(cc4OC)C(=O)NC4CCN(C)CC4)ncc3C(F)(F)F)c2C1=O
Show InChI InChI=1S/C28H28F4N6O5/c1-37-9-7-16(8-10-37)34-24(39)17-11-22(41-2)20(12-19(17)29)35-27-33-13-18(28(30,31)32)25(36-27)43-21-6-4-5-15-14-38(42-3)26(40)23(15)21/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,34,39)(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))
BDBM134114
PNG
(US8846689, 116)
Show SMILES CON1Cc2cccc(Oc3nc(Nc4cc(F)c(cc4OC)C(=O)N[C@@H]4CCCN(C)C4)ncc3C(F)(F)F)c2C1=O |r|
Show InChI InChI=1/C28H28F4N6O5/c1-37-9-5-7-16(14-37)34-24(39)17-10-22(41-2)20(11-19(17)29)35-27-33-12-18(28(30,31)32)25(36-27)43-21-8-4-6-15-13-38(42-3)26(40)23(15)21/h4,6,8,10-12,16H,5,7,9,13-14H2,1-3H3,(H,34,39)(H,33,35,36)/t16-/s2
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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))
BDBM134115
PNG
(US8846689, 117)
Show SMILES CON1Cc2cccc(Oc3nc(Nc4ccc(cc4OC)C(=O)N[C@@H]4CCCN(C)C4)ncc3C(F)(F)F)c2C1=O |r|
Show InChI InChI=1/C28H29F3N6O5/c1-36-11-5-7-18(15-36)33-24(38)16-9-10-20(22(12-16)40-2)34-27-32-13-19(28(29,30)31)25(35-27)42-21-8-4-6-17-14-37(41-3)26(39)23(17)21/h4,6,8-10,12-13,18H,5,7,11,14-15H2,1-3H3,(H,33,38)(H,32,34,35)/t18-/s2
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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))
BDBM134116
PNG
(US8846689, 118)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C30H32F4N6O4/c1-29(2)18-7-6-8-22(24(18)27(42)40(29)4)44-26-19(30(32,33)34)15-35-28(38-26)37-21-14-20(31)17(13-23(21)43-5)25(41)36-16-9-11-39(3)12-10-16/h6-8,13-16H,9-12H2,1-5H3,(H,36,41)(H,35,37,38)
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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))
BDBM134117
PNG
(US8846689, 119)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(c(Oc3cccc4CN(C)C(=O)c34)n2)C(F)(F)F)cc1F |r|
Show InChI InChI=1/C29H30F4N6O5/c1-38-9-8-19(23(14-38)43-4)35-25(40)16-10-22(42-3)20(11-18(16)30)36-28-34-12-17(29(31,32)33)26(37-28)44-21-7-5-6-15-13-39(2)27(41)24(15)21/h5-7,10-12,19,23H,8-9,13-14H2,1-4H3,(H,35,40)(H,34,36,37)/t19-,23+/s2
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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))
BDBM134118
PNG
(US8846689, 120)
Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(Cl)cc1Nc1ncc(c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1)C(F)(F)F |r|
Show InChI InChI=1/C30H31ClF4N6O4/c1-29(2)16-7-6-8-22(24(16)27(43)41(29)4)45-26-17(30(33,34)35)13-36-28(39-26)38-21-12-18(31)15(11-23(21)44-5)25(42)37-20-9-10-40(3)14-19(20)32/h6-8,11-13,19-20H,9-10,14H2,1-5H3,(H,37,42)(H,36,38,39)/t19-,20+/s2
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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))
BDBM134119
PNG
(US8846689, 121)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(c(Oc3cccc4c3C(=O)N(C)C4(C)C)n2)C(F)(F)F)cc1Cl |r|
Show InChI InChI=1/C31H34ClF3N6O5/c1-30(2)17-8-7-9-22(25(17)28(43)41(30)4)46-27-18(31(33,34)35)14-36-29(39-27)38-21-13-19(32)16(12-23(21)44-5)26(42)37-20-10-11-40(3)15-24(20)45-6/h7-9,12-14,20,24H,10-11,15H2,1-6H3,(H,37,42)(H,36,38,39)/t20-,24+/s2
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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))
BDBM134123
PNG
(US8846689, 125)
Show SMILES COc1cc(C(=O)NCCN(C)C)c(F)cc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F
Show InChI InChI=1S/C26H26F4N6O4/c1-35(2)9-8-31-22(37)15-10-20(39-4)18(11-17(15)27)33-25-32-12-16(26(28,29)30)23(34-25)40-19-7-5-6-14-13-36(3)24(38)21(14)19/h5-7,10-12H,8-9,13H2,1-4H3,(H,31,37)(H,32,33,34)
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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))
BDBM134036
PNG
(US8846689, 38)
Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H29F3N6O4/c1-36-11-9-18(10-12-36)33-24(38)16-7-8-20(22(13-16)40-3)34-27-32-14-19(28(29,30)31)25(35-27)41-21-6-4-5-17-15-37(2)26(39)23(17)21/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,33,38)(H,32,34,35)
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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))
BDBM10180
PNG
(US8846689, 156)
Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3C(C)C(C)C(=O)c23)n1 |r|
Show InChI InChI=1S/C29H30Cl2FN5O4/c1-14-15(2)26(38)25-16(14)6-5-7-23(25)41-28-19(31)12-33-29(36-28)35-22-11-18(30)17(10-24(22)40-4)27(39)34-21-8-9-37(3)13-20(21)32/h5-7,10-12,14-15,20-21H,8-9,13H2,1-4H3,(H,34,39)(H,33,35,36)/t14?,15?,20-,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))
BDBM134045
PNG
(US8846689, 156 | US8846689, 47)
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=1/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-/s2
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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))
BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTK2 (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
Show InChI InChI=1/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/s2
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n/an/a 1n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay


J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of FAK


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
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 | N-methyl-N-(2-((2-(2...)
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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified activated FAK kinase domain (410-689) using ATP and Glu and Tyr random peptide polymer substrate by fluorescence polarization ...


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM134191
PNG
(US8846689, 193)
Show SMILES CN1Cc2cccc(Oc3nc(Nc4ccc(cc4C)C(=O)NC4CCN(C)CC4)ncc3C(F)(F)F)c2C1=O
Show InChI InChI=1S/C28H29F3N6O3/c1-16-13-17(24(38)33-19-9-11-36(2)12-10-19)7-8-21(16)34-27-32-14-20(28(29,30)31)25(35-27)40-22-6-4-5-18-15-37(3)26(39)23(18)22/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,33,38)(H,32,34,35)
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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))
BDBM134193
PNG
(US8846689, 195)
Show SMILES COCCNC(=O)c1ccc(Nc2ncc(c(Oc3cccc4CN(C)C(=O)c34)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C25H24F3N5O5/c1-33-13-15-5-4-6-18(20(15)23(33)35)38-22-16(25(26,27)28)12-30-24(32-22)31-17-8-7-14(11-19(17)37-3)21(34)29-9-10-36-2/h4-8,11-12H,9-10,13H2,1-3H3,(H,29,34)(H,30,31,32)
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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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