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Patent code US8586580

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM106677
PNG
(US8586580, 25)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(c4)C(=O)NC4CC4)c3n2)cn1
Show InChI InChI=1S/C27H29N7OS/c1-2-33-10-12-34(13-11-33)24-9-8-21(15-28-24)31-27-29-16-23-25(32-27)22(17-36-23)18-4-3-5-19(14-18)26(35)30-20-6-7-20/h3-5,8-9,14-17,20H,2,6-7,10-13H2,1H3,(H,30,35)(H,29,31,32)
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US Patent
n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).


US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM106673
PNG
(US8586580, 1)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1
Show InChI InChI=1S/C24H27N7O2S2/c1-3-30-9-11-31(12-10-30)22-8-7-19(14-25-22)27-24-26-15-21-23(28-24)20(16-34-21)17-5-4-6-18(13-17)29-35(2,32)33/h4-8,13-16,29H,3,9-12H2,1-2H3,(H,26,27,28)
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US Patent
n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).


US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM106676
PNG
(US8586580, 13)
Show SMILES CN(C)CCOc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1
Show InChI InChI=1S/C22H24N6O3S2/c1-28(2)9-10-31-20-8-7-17(12-23-20)25-22-24-13-19-21(26-22)18(14-32-19)15-5-4-6-16(11-15)27-33(3,29)30/h4-8,11-14,27H,9-10H2,1-3H3,(H,24,25,26)
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US Patent
n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).


US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM106679
PNG
(US8586580, 27)
Show SMILES O=C(NC1CC1)c1cccc(c1)-c1csc2cnc(Nc3ccc(nc3)N3CCOCC3)nc12
Show InChI InChI=1S/C25H24N6O2S/c32-24(28-18-4-5-18)17-3-1-2-16(12-17)20-15-34-21-14-27-25(30-23(20)21)29-19-6-7-22(26-13-19)31-8-10-33-11-9-31/h1-3,6-7,12-15,18H,4-5,8-11H2,(H,28,32)(H,27,29,30)
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US Patent
n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).


US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM106680
PNG
(US8586580, 30)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cnc5ccccc5c4)c3n2)cn1
Show InChI InChI=1S/C26H25N7S/c1-2-32-9-11-33(12-10-32)24-8-7-20(15-28-24)30-26-29-16-23-25(31-26)21(17-34-23)19-13-18-5-3-4-6-22(18)27-14-19/h3-8,13-17H,2,9-12H2,1H3,(H,29,30,31)
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n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).


US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM106675
PNG
(US8586580, 12)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1csc2cnc(Nc3ccc(nc3)N3CCOCC3)nc12
Show InChI InChI=1S/C22H22N6O3S2/c1-33(29,30)27-16-4-2-3-15(11-16)18-14-32-19-13-24-22(26-21(18)19)25-17-5-6-20(23-12-17)28-7-9-31-10-8-28/h2-6,11-14,27H,7-10H2,1H3,(H,24,25,26)
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).


US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM106674
PNG
(US8586580, 11)
Show SMILES Cc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1
Show InChI InChI=1S/C19H17N5O2S2/c1-12-6-7-15(9-20-12)22-19-21-10-17-18(23-19)16(11-27-17)13-4-3-5-14(8-13)24-28(2,25)26/h3-11,24H,1-2H3,(H,21,22,23)
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US Patent
n/an/a<1.00E+3n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).


US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM106678
PNG
(US8586580, 26)
Show SMILES Cc1ccc(Nc2ncc3scc(-c4cccc(c4)C(=O)NC4CC4)c3n2)cn1
Show InChI InChI=1S/C22H19N5OS/c1-13-5-6-17(10-23-13)26-22-24-11-19-20(27-22)18(12-29-19)14-3-2-4-15(9-14)21(28)25-16-7-8-16/h2-6,9-12,16H,7-8H2,1H3,(H,25,28)(H,24,26,27)
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n/an/a<1.00E+4n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).


US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%