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Patent code US9120761

Compile Data Set for Download or QSAR
Found 34 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


(Mus musculus (Mouse))		BDBM176587
PNG
(US9120761, 1)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C26H29F3N6O2/c1-37-23-15-19(35-12-10-31-11-13-35)7-9-22(23)34-25-32-16-20(26(27,28)29)21(33-25)8-6-17-4-2-3-5-18(17)14-24(30)36/h2-5,7,9,15-16,31H,6,8,10-14H2,1H3,(H2,30,36)(H,32,33,34)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176592
PNG
(US9120761, 6)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2cccc(c2)C(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C27H30F3N5O2/c1-35-12-10-18(11-13-35)19-7-9-23(24(15-19)37-2)34-26-32-16-21(27(28,29)30)22(33-26)8-6-17-4-3-5-20(14-17)25(31)36/h3-5,7,9,14-16,18H,6,8,10-13H2,1-2H3,(H2,31,36)(H,32,33,34)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176597
PNG
(US9120761, 11)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C28H29F6N5O2/c1-39-12-10-18(11-13-39)20-7-9-23(24(14-20)41-28(32,33)34)38-26-36-16-21(27(29,30)31)22(37-26)8-6-17-4-2-3-5-19(17)15-25(35)40/h2-5,7,9,14,16,18H,6,8,10-13,15H2,1H3,(H2,35,40)(H,36,37,38)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176589
PNG
(US9120761, 3)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176596
PNG
(US9120761, 10)
Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2OC(F)(F)F)C2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C27H27F6N5O2/c28-26(29,30)20-15-36-25(37-21(20)7-5-16-3-1-2-4-18(16)14-24(34)39)38-22-8-6-19(17-9-11-35-12-10-17)13-23(22)40-27(31,32)33/h1-4,6,8,13,15,17,35H,5,7,9-12,14H2,(H2,34,39)(H,36,37,38)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176590
PNG
(US9120761, 4)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C29H34F3N5O2/c1-3-37-14-12-20(13-15-37)22-9-11-25(26(16-22)39-2)36-28-34-18-23(29(30,31)32)24(35-28)10-8-19-6-4-5-7-21(19)17-27(33)38/h4-7,9,11,16,18,20H,3,8,10,12-15,17H2,1-2H3,(H2,33,38)(H,34,35,36)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176595
PNG
(US9120761, 9)
Show SMILES CCc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C29H34F3N5O/c1-3-19-16-23(21-12-14-37(2)15-13-21)9-10-25(19)35-28-34-18-24(29(30,31)32)26(36-28)11-8-20-6-4-5-7-22(20)17-27(33)38/h4-7,9-10,16,18,21H,3,8,11-15,17H2,1-2H3,(H2,33,38)(H,34,35,36)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176598
PNG
(US9120761, 12)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C28H32F3N5O/c1-18-15-22(20-11-13-36(2)14-12-20)8-9-24(18)34-27-33-17-23(28(29,30)31)25(35-27)10-7-19-5-3-4-6-21(19)16-26(32)37/h3-6,8-9,15,17,20H,7,10-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176594
PNG
(US9120761, 8)
Show SMILES CCc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C28H32F3N5O/c1-2-18-15-22(20-11-13-33-14-12-20)8-9-24(18)35-27-34-17-23(28(29,30)31)25(36-27)10-7-19-5-3-4-6-21(19)16-26(32)37/h3-6,8-9,15,17,20,33H,2,7,10-14,16H2,1H3,(H2,32,37)(H,34,35,36)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176599
PNG
(US9120761, 13)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C27H29F4N5O/c1-36-12-10-18(11-13-36)20-7-9-24(22(28)14-20)35-26-33-16-21(27(29,30)31)23(34-26)8-6-17-4-2-3-5-19(17)15-25(32)37/h2-5,7,9,14,16,18H,6,8,10-13,15H2,1H3,(H2,32,37)(H,33,34,35)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176588
PNG
(US9120761, 2)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C27H30F3N5O2/c1-37-24-14-20(18-10-12-32-13-11-18)7-9-23(24)35-26-33-16-21(27(28,29)30)22(34-26)8-6-17-4-2-3-5-19(17)15-25(31)36/h2-5,7,9,14,16,18,32H,6,8,10-13,15H2,1H3,(H2,31,36)(H,33,34,35)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176591
PNG
(US9120761, 5)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2cccc(c2)C(N)=O)n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C26H28F3N5O2/c1-36-23-14-18(17-9-11-31-12-10-17)6-8-22(23)34-25-32-15-20(26(27,28)29)21(33-25)7-5-16-3-2-4-19(13-16)24(30)35/h2-4,6,8,13-15,17,31H,5,7,9-12H2,1H3,(H2,30,35)(H,32,33,34)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176593
PNG
(US9120761, 7)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(c(Cc3ccccc3C(N)=O)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C27H30F3N5O2/c1-3-35-12-10-17(11-13-35)18-8-9-22(24(15-18)37-2)33-26-32-16-21(27(28,29)30)23(34-26)14-19-6-4-5-7-20(19)25(31)36/h4-9,15-17H,3,10-14H2,1-2H3,(H2,31,36)(H,32,33,34)
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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) S...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Isoform 2 of Vascular endothelial growth factor receptor 3 (Short) 98-1298]


(Homo sapiens (Human))		BDBM176599
PNG
(US9120761, 13)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C27H29F4N5O/c1-36-12-10-18(11-13-36)20-7-9-24(22(28)14-20)35-26-33-16-21(27(29,30)31)23(34-26)8-6-17-4-2-3-5-19(17)15-25(32)37/h2-5,7,9,14,16,18H,6,8,10-13,15H2,1H3,(H2,32,37)(H,33,34,35)
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Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3 [818-948,1003-1077]


(Homo sapiens (Human))		BDBM176598
PNG
(US9120761, 12)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C28H32F3N5O/c1-18-15-22(20-11-13-36(2)14-12-20)8-9-24(18)34-27-33-17-23(28(29,30)31)25(35-27)10-7-19-5-3-4-6-21(19)16-26(32)37/h3-6,8-9,15,17,20H,7,10-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
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Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3 [818-948,1003-1077]


(Homo sapiens (Human))		BDBM176587
PNG
(US9120761, 1)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C26H29F3N6O2/c1-37-23-15-19(35-12-10-31-11-13-35)7-9-22(23)34-25-32-16-20(26(27,28)29)21(33-25)8-6-17-4-2-3-5-18(17)14-24(30)36/h2-5,7,9,15-16,31H,6,8,10-14H2,1H3,(H2,30,36)(H,32,33,34)
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Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Isoform 2 of Vascular endothelial growth factor receptor 3 (Short) 98-1298]


(Homo sapiens (Human))		BDBM176589
PNG
(US9120761, 3)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
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n/an/a 538n/an/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Isoform 2 of Vascular endothelial growth factor receptor 3 (Short) 98-1298]


(Homo sapiens (Human))		BDBM176595
PNG
(US9120761, 9)
Show SMILES CCc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C29H34F3N5O/c1-3-19-16-23(21-12-14-37(2)15-13-21)9-10-25(19)35-28-34-18-24(29(30,31)32)26(36-28)11-8-20-6-4-5-7-22(20)17-27(33)38/h4-7,9-10,16,18,21H,3,8,11-15,17H2,1-2H3,(H2,33,38)(H,34,35,36)
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Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Isoform 2 of Vascular endothelial growth factor receptor 3 (Short) 98-1298]


(Homo sapiens (Human))		BDBM176594
PNG
(US9120761, 8)
Show SMILES CCc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C28H32F3N5O/c1-2-18-15-22(20-11-13-33-14-12-20)8-9-24(18)35-27-34-17-23(28(29,30)31)25(36-27)10-7-19-5-3-4-6-21(19)16-26(32)37/h3-6,8-9,15,17,20,33H,2,7,10-14,16H2,1H3,(H2,32,37)(H,34,35,36)
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n/an/a 1.18E+3n/an/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3 [818-948,1003-1077]


(Homo sapiens (Human))		BDBM176588
PNG
(US9120761, 2)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C27H30F3N5O2/c1-37-24-14-20(18-10-12-32-13-11-18)7-9-23(24)35-26-33-16-21(27(28,29)30)22(34-26)8-6-17-4-2-3-5-19(17)15-25(31)36/h2-5,7,9,14,16,18,32H,6,8,10-13,15H2,1H3,(H2,31,36)(H,33,34,35)
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n/an/a 3.69E+3n/an/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3 [818-948,1003-1077]


(Homo sapiens (Human))		BDBM176591
PNG
(US9120761, 5)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2cccc(c2)C(N)=O)n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C26H28F3N5O2/c1-36-23-14-18(17-9-11-31-12-10-17)6-8-22(23)34-25-32-15-20(26(27,28)29)21(33-25)7-5-16-3-2-4-19(13-16)24(30)35/h2-4,6,8,13-15,17,31H,5,7,9-12H2,1H3,(H2,30,35)(H,32,33,34)
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n/an/a 5.75E+3n/an/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Isoform 2 of Vascular endothelial growth factor receptor 3 (Short) 98-1298]


(Homo sapiens (Human))		BDBM176592
PNG
(US9120761, 6)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2cccc(c2)C(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C27H30F3N5O2/c1-35-12-10-18(11-13-35)19-7-9-23(24(15-19)37-2)34-26-32-16-21(27(28,29)30)22(33-26)8-6-17-4-3-5-20(14-17)25(31)36/h3-5,7,9,14-16,18H,6,8,10-13H2,1-2H3,(H2,31,36)(H,32,33,34)
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n/an/a 1.04E+4n/an/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3 [818-948,1003-1077]


(Homo sapiens (Human))		BDBM176593
PNG
(US9120761, 7)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(c(Cc3ccccc3C(N)=O)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C27H30F3N5O2/c1-3-35-12-10-17(11-13-35)18-8-9-22(24(15-18)37-2)33-26-32-16-21(27(28,29)30)23(34-26)14-19-6-4-5-7-20(19)25(31)36/h4-9,15-17H,3,10-14H2,1-2H3,(H2,31,36)(H,32,33,34)
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n/an/a 1.33E+4n/an/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Isoform 2 of Vascular endothelial growth factor receptor 3 (Short) 98-1298]


(Homo sapiens (Human))		BDBM176597
PNG
(US9120761, 11)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C28H29F6N5O2/c1-39-12-10-18(11-13-39)20-7-9-23(24(14-20)41-28(32,33)34)38-26-36-16-21(27(29,30)31)22(37-26)8-6-17-4-2-3-5-19(17)15-25(35)40/h2-5,7,9,14,16,18H,6,8,10-13,15H2,1H3,(H2,35,40)(H,36,37,38)
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n/an/a 5.98E+4n/an/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Isoform 2 of Vascular endothelial growth factor receptor 3 (Short) 98-1298]


(Homo sapiens (Human))		BDBM176596
PNG
(US9120761, 10)
Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2OC(F)(F)F)C2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C27H27F6N5O2/c28-26(29,30)20-15-36-25(37-21(20)7-5-16-3-1-2-4-18(16)14-24(34)39)38-22-8-6-19(17-9-11-35-12-10-17)13-23(22)40-27(31,32)33/h1-4,6,8,13,15,17,35H,5,7,9-12,14H2,(H2,34,39)(H,36,37,38)
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n/an/a>6.60E+4n/an/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176589
PNG
(US9120761, 3)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
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n/an/an/a 0.210n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176587
PNG
(US9120761, 1)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C26H29F3N6O2/c1-37-23-15-19(35-12-10-31-11-13-35)7-9-22(23)34-25-32-16-20(26(27,28)29)21(33-25)8-6-17-4-2-3-5-18(17)14-24(30)36/h2-5,7,9,15-16,31H,6,8,10-14H2,1H3,(H2,30,36)(H,32,33,34)
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n/an/an/a 0.290n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176596
PNG
(US9120761, 10)
Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2OC(F)(F)F)C2CCNCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C27H27F6N5O2/c28-26(29,30)20-15-36-25(37-21(20)7-5-16-3-1-2-4-18(16)14-24(34)39)38-22-8-6-19(17-9-11-35-12-10-17)13-23(22)40-27(31,32)33/h1-4,6,8,13,15,17,35H,5,7,9-12,14H2,(H2,34,39)(H,36,37,38)
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n/an/an/a 0.790n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176592
PNG
(US9120761, 6)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2cccc(c2)C(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C27H30F3N5O2/c1-35-12-10-18(11-13-35)19-7-9-23(24(15-19)37-2)34-26-32-16-21(27(28,29)30)22(33-26)8-6-17-4-3-5-20(14-17)25(31)36/h3-5,7,9,14-16,18H,6,8,10-13H2,1-2H3,(H2,31,36)(H,32,33,34)
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n/an/an/a 2.90n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176588
PNG
(US9120761, 2)
Show SMILES COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C27H30F3N5O2/c1-37-24-14-20(18-10-12-32-13-11-18)7-9-23(24)35-26-33-16-21(27(28,29)30)22(34-26)8-6-17-4-2-3-5-19(17)15-25(31)36/h2-5,7,9,14,16,18,32H,6,8,10-13,15H2,1H3,(H2,31,36)(H,33,34,35)
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n/an/an/a 0.740n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176595
PNG
(US9120761, 9)
Show SMILES CCc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C29H34F3N5O/c1-3-19-16-23(21-12-14-37(2)15-13-21)9-10-25(19)35-28-34-18-24(29(30,31)32)26(36-28)11-8-20-6-4-5-7-22(20)17-27(33)38/h4-7,9-10,16,18,21H,3,8,11-15,17H2,1-2H3,(H2,33,38)(H,34,35,36)
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n/an/an/a 1.5n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176590
PNG
(US9120761, 4)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C29H34F3N5O2/c1-3-37-14-12-20(13-15-37)22-9-11-25(26(16-22)39-2)36-28-34-18-23(29(30,31)32)24(35-28)10-8-19-6-4-5-7-21(19)17-27(33)38/h4-7,9,11,16,18,20H,3,8,10,12-15,17H2,1-2H3,(H2,33,38)(H,34,35,36)
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n/an/an/a 1.5n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176594
PNG
(US9120761, 8)
Show SMILES CCc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C28H32F3N5O/c1-2-18-15-22(20-11-13-33-14-12-20)8-9-24(18)35-27-34-17-23(28(29,30)31)25(36-27)10-7-19-5-3-4-6-21(19)16-26(32)37/h3-6,8-9,15,17,20,33H,2,7,10-14,16H2,1H3,(H2,32,37)(H,34,35,36)
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n/an/an/a 0.810n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Mus musculus (Mouse))		BDBM176597
PNG
(US9120761, 11)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C28H29F6N5O2/c1-39-12-10-18(11-13-39)20-7-9-23(24(14-20)41-28(32,33)34)38-26-36-16-21(27(29,30)31)22(37-26)8-6-17-4-2-3-5-19(17)15-25(35)40/h2-5,7,9,14,16,18H,6,8,10-13,15H2,1H3,(H2,35,40)(H,36,37,38)
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n/an/an/a 1.70n/an/an/a7.4n/a



Cancer Therapeutics CRC PTY LTD

US Patent


Assay Description
In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was capt...

US Patent US9120761 (2015)


BindingDB Entry DOI: 10.7270/Q22N511J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%