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Compile Data Set for Download or QSAR

Found 108 hits of ic50 data for polymerid = 50006482   
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
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469007
PNG
(US10807974, Example 16 | US10995088, Example 16 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO
Show InChI InChI=1S/C13H15NO5S3/c14-9-10-1-6-13(20-10)22(18,19)12-4-2-11(3-5-12)21(16,17)8-7-15/h1-6,15H,7-9,14H2
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US Patent
n/an/a 300n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469005
PNG
(US10807974, Example 9 | US10995088, Example 9 | US...)
Show SMILES CS(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C12H13NO4S3/c1-19(14,15)10-3-2-4-11(7-10)20(16,17)12-6-5-9(8-13)18-12/h2-7H,8,13H2,1H3
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n/an/a 340n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469011
PNG
(US10807974, Example 27 | US10995088, Example 27 | ...)
Show SMILES CCNCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C15H20N2O4S3/c1-2-17-9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8,17H,2,9-11,16H2,1H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469032
PNG
(US10807974, Example 43 | US10995088, Example 43 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C16H20N2O5S3/c17-10-13-6-7-16(24-13)25(20,21)14-4-1-5-15(9-14)26(22,23)18-8-2-3-12(18)11-19/h1,4-7,9,12,19H,2-3,8,10-11,17H2/t12-/m0/s1
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469023
PNG
(US10807974, Example 39 | US10995088, Example 39 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO
Show InChI InChI=1S/C14H17NO5S3/c15-10-11-2-7-14(21-11)23(19,20)13-5-3-12(4-6-13)22(17,18)9-1-8-16/h2-7,16H,1,8-10,15H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469008
PNG
(US10807974, Example 17 | US10995088, Example 17 | ...)
Show SMILES CN(C)CCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C15H20N2O4S3/c1-17(2)9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8H,9-11,16H2,1-2H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469019
PNG
(US10807974, Example 35 | US10995088, Example 35 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCNCC1
Show InChI InChI=1S/C18H25N3O4S3/c19-14-15-2-7-18(26-15)28(24,25)17-5-3-16(4-6-17)27(22,23)13-12-21-10-1-8-20-9-11-21/h2-7,20H,1,8-14,19H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469024
PNG
(US10807974, Example 40 | US10995088, Example 40 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCN=[N+]=[N-]
Show InChI InChI=1S/C14H16N4O4S3/c15-10-11-2-7-14(23-11)25(21,22)13-5-3-12(4-6-13)24(19,20)9-1-8-17-18-16/h2-7H,1,8-10,15H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469004
PNG
(US10807974, Example 5 | US10995088, Example 5 | US...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C12H13NO4S3/c1-19(14,15)10-3-5-11(6-4-10)20(16,17)12-7-2-9(8-13)18-12/h2-7H,8,13H2,1H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469027
PNG
(US10807974, Example 12 | US10995088, Example 12 | ...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C13H16N2O4S3/c1-15(2)22(18,19)12-6-4-11(5-7-12)21(16,17)13-8-3-10(9-14)20-13/h3-8H,9,14H2,1-2H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469018
PNG
(US10807974, Example 34 | US10995088, Example 34 | ...)
Show SMILES CS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1
Show InChI InChI=1S/C18H25N3O6S4/c1-29(22,23)21-10-8-20(9-11-21)12-13-30(24,25)16-3-5-17(6-4-16)31(26,27)18-7-2-15(14-19)28-18/h2-7H,8-14,19H2,1H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469010
PNG
(US10807974, Example 26 | US10995088, Example 26 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCC1
Show InChI InChI=1S/C17H22N2O4S3/c18-13-14-3-8-17(24-14)26(22,23)16-6-4-15(5-7-16)25(20,21)12-11-19-9-1-2-10-19/h3-8H,1-2,9-13,18H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469022
PNG
(US10807974, Example 38 | US10995088, Example 38 | ...)
Show SMILES CC(=O)N1CCCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1
Show InChI InChI=1S/C20H27N3O5S3/c1-16(24)23-10-2-9-22(11-12-23)13-14-30(25,26)18-4-6-19(7-5-18)31(27,28)20-8-3-17(15-21)29-20/h3-8H,2,9-15,21H2,1H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469029
PNG
(US10807974, Example 14 | US10807974, Example 42 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C15H18N2O4S3/c16-11-12-6-7-15(22-12)23(18,19)13-4-3-5-14(10-13)24(20,21)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11,16H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469025
PNG
(US10807974, Example 41 | US10995088, Example 41 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCN1CCCC1
Show InChI InChI=1S/C18H24N2O4S3/c19-14-15-4-9-18(25-15)27(23,24)17-7-5-16(6-8-17)26(21,22)13-3-12-20-10-1-2-11-20/h4-9H,1-3,10-14,19H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469016
PNG
(US10807974, Example 32 | US10995088, Example 32 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCNC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O5S3/c21-14-16-6-11-19(28-16)30(26,27)18-9-7-17(8-10-18)29(24,25)13-12-22-20(23)15-4-2-1-3-5-15/h1-11H,12-14,21H2,(H,22,23)
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM468996
PNG
(US10807974, Example 50 | US10995088, Example 50)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)C(=O)NCCO
Show InChI InChI=1S/C14H16N2O4S2/c15-9-11-4-5-13(21-11)22(19,20)12-3-1-2-10(8-12)14(18)16-6-7-17/h1-5,8,17H,6-7,9,15H2,(H,16,18)
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM468998
PNG
(US10807974, Example 52 | US10995088, Example 52)
Show SMILES COc1ccc(cc1)S(=O)(=O)CCNC(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C21H22N2O6S3/c1-29-16-5-8-18(9-6-16)31(25,26)12-11-23-21(24)15-3-2-4-19(13-15)32(27,28)20-10-7-17(14-22)30-20/h2-10,13H,11-12,14,22H2,1H3,(H,23,24)
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469057
PNG
(US10807974, Example 80 | US10995088, Example 80 | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1-c1ccccc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C18H17NO4S3/c1-25(20,21)17-9-8-15(11-16(17)13-5-3-2-4-6-13)26(22,23)18-10-7-14(12-19)24-18/h2-11H,12,19H2,1H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM50526737
PNG
(CHEMBL4528500 | US10807974, Example 82 | US1099508...)
Show SMILES Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C19H19NO4S3/c1-13-3-5-14(6-4-13)17-11-16(8-9-18(17)26(2,21)22)27(23,24)19-10-7-15(12-20)25-19/h3-11H,12,20H2,1-2H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469028
PNG
(US10807974, Example 13 | US10995088, Example 13 | ...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C13H16N2O4S3/c1-15(2)22(18,19)12-5-3-4-11(8-12)21(16,17)13-7-6-10(9-14)20-13/h3-8H,9,14H2,1-2H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469058
PNG
(US10807974, Example 81 | US10995088, Example 81 | ...)
Show SMILES Cn1cc(cn1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C16H17N3O4S3/c1-19-10-11(9-18-19)14-7-13(4-5-15(14)25(2,20)21)26(22,23)16-6-3-12(8-17)24-16/h3-7,9-10H,8,17H2,1-2H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM50501885
PNG
(CHEMBL4441173 | US10807974, Example 68 | US1099508...)
Show SMILES CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4S3/c1-25(20,21)16-9-14(13-5-3-2-4-6-13)10-17(11-16)26(22,23)18-8-7-15(12-19)24-18/h2-11H,12,19H2,1H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469061
PNG
(US10807974, Example 84 | US10995088, Example 84 | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1-c1ccc(F)cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C18H16FNO4S3/c1-26(21,22)17-8-7-15(10-16(17)12-2-4-13(19)5-3-12)27(23,24)18-9-6-14(11-20)25-18/h2-10H,11,20H2,1H3
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n/an/a 910n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469015
PNG
(US10807974, Example 31 | US10995088, Example 31 | ...)
Show SMILES CC(=O)NCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C15H18N2O5S3/c1-11(18)17-8-9-24(19,20)13-3-5-14(6-4-13)25(21,22)15-7-2-12(10-16)23-15/h2-7H,8-10,16H2,1H3,(H,17,18)
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n/an/a 910n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469030
PNG
(US10807974, Example 15 | US10995088, Example 15 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C15H18N2O4S3/c16-11-12-3-8-15(22-12)23(18,19)13-4-6-14(7-5-13)24(20,21)17-9-1-2-10-17/h3-8H,1-2,9-11,16H2
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n/an/a 930n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469034
PNG
(US10807974, Example 45 | US10995088, Example 45 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1COC(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O6S3/c24-16-6-8-17(9-7-16)26-23(28)33-15-18-3-2-12-27(18)36(31,32)21-5-1-4-20(13-21)35(29,30)22-11-10-19(14-25)34-22/h1,4-11,13,18H,2-3,12,14-15,25H2,(H,26,28)/t18-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM50526748
PNG
(CHEMBL4443558 | US10807974, Example 90 | US1099508...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H13NO2S2/c16-10-13-6-8-15(19-13)20(17,18)14-7-5-11-3-1-2-4-12(11)9-14/h1-9H,10,16H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM50501883
PNG
(CHEMBL4564517 | US10807974, Example 76 | US1099508...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
Show InChI InChI=1S/C19H19NO4S3/c1-13-3-5-14(6-4-13)15-9-17(26(2,21)22)11-18(10-15)27(23,24)19-8-7-16(12-20)25-19/h3-11H,12,20H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469064
PNG
(US10807974, Example 53 | US10995088, Example 53 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C9H9NO2S3/c10-6-7-3-4-9(14-7)15(11,12)8-2-1-5-13-8/h1-5H,6,10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469038
PNG
(US10807974, Example 47 | US10995088, Example 47 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O4S3/c17-16(18,19)11-7-13(27(22,23)15-4-3-12(10-20)26-15)9-14(8-11)28(24,25)21-5-1-2-6-21/h3-4,7-9H,1-2,5-6,10,20H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469021
PNG
(US10807974, Example 37 | US10995088, Example 37 | ...)
Show SMILES CCNC(=O)N1CCCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1
Show InChI InChI=1S/C21H30N4O5S3/c1-2-23-21(26)25-11-3-10-24(12-13-25)14-15-32(27,28)18-5-7-19(8-6-18)33(29,30)20-9-4-17(16-22)31-20/h4-9H,2-3,10-16,22H2,1H3,(H,23,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469017
PNG
(US10807974, Example 33 | US10995088, Example 33 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCN1CCNCC1
Show InChI InChI=1S/C17H23N3O4S3/c18-13-14-1-6-17(25-14)27(23,24)16-4-2-15(3-5-16)26(21,22)12-11-20-9-7-19-8-10-20/h1-6,19H,7-13,18H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469033
PNG
(US10807974, Example 44 | US10995088, Example 44 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H23FN2O5S3/c23-16-6-8-18(9-7-16)30-15-17-3-2-12-25(17)33(28,29)21-5-1-4-20(13-21)32(26,27)22-11-10-19(14-24)31-22/h1,4-11,13,17H,2-3,12,14-15,24H2/t17-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469012
PNG
(US10807974, Example 28 | US10995088, Example 28 | ...)
Show SMILES COCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C14H17NO5S3/c1-20-8-9-22(16,17)12-3-5-13(6-4-12)23(18,19)14-7-2-11(10-15)21-14/h2-7H,8-10,15H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469051
PNG
(US10807974, Example 74 | US10995088, Example 74 | ...)
Show SMILES CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1cccnc1
Show InChI InChI=1S/C17H16N2O4S3/c1-25(20,21)15-7-13(12-3-2-6-19-11-12)8-16(9-15)26(22,23)17-5-4-14(10-18)24-17/h2-9,11H,10,18H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469029
PNG
(US10807974, Example 14 | US10807974, Example 42 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C15H18N2O4S3/c16-11-12-6-7-15(22-12)23(18,19)13-4-3-5-14(10-13)24(20,21)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11,16H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM50526748
PNG
(CHEMBL4443558 | US10807974, Example 90 | US1099508...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H13NO2S2/c16-10-13-6-8-15(19-13)20(17,18)14-7-5-11-3-1-2-4-12(11)9-14/h1-9H,10,16H2
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469062
PNG
(US10807974, Example 85 | US10995088, Example 85 | ...)
Show SMILES Cc1cccc(c1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C19H19NO4S3/c1-13-4-3-5-14(10-13)17-11-16(7-8-18(17)26(2,21)22)27(23,24)19-9-6-15(12-20)25-19/h3-11H,12,20H2,1-2H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM468999
PNG
(US10807974, Example 54 | US10995088, Example 54)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1 |r|
Show InChI InChI=1S/C18H20N2O5S2/c1-25-18(22)15-6-3-9-20(15)17(21)12-4-2-5-14(10-12)27(23,24)16-8-7-13(11-19)26-16/h2,4-5,7-8,10,15H,3,6,9,11,19H2,1H3/t15-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469066
PNG
(US10807974, Example 60 | US10995088, Example 60 | ...)
Show SMILES CS(=O)(=O)c1ccc(s1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C10H11NO4S4/c1-18(12,13)8-4-5-10(17-8)19(14,15)9-3-2-7(6-11)16-9/h2-5H,6,11H2,1H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469054
PNG
(US10807974, Example 77 | US10995088, Example 77 | ...)
Show SMILES Cn1cc(cn1)-c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
Show InChI InChI=1S/C16H17N3O4S3/c1-19-10-12(9-18-19)11-5-14(25(2,20)21)7-15(6-11)26(22,23)16-4-3-13(8-17)24-16/h3-7,9-10H,8,17H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469042
PNG
(US10807974, Example 64 | US10995088, Example 64 | ...)
Show SMILES CC(C)(C)Oc1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)S(C)(=O)=O
Show InChI InChI=1S/C16H21NO5S3/c1-16(2,3)22-11-7-13(24(4,18)19)9-14(8-11)25(20,21)15-6-5-12(10-17)23-15/h5-9H,10,17H2,1-4H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469037
PNG
(US10807974, Example 49 | US10995088, Example 49 | ...)
Show SMILES CC(C)S(=O)(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1 |r|
Show InChI InChI=1S/C19H27N3O6S4/c1-14(2)31(25,26)21-13-15-5-4-10-22(15)32(27,28)18-7-3-6-17(11-18)30(23,24)19-9-8-16(12-20)29-19/h3,6-9,11,14-15,21H,4-5,10,12-13,20H2,1-2H3/t15-/m0/s1
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM468994
PNG
(US10807974, Example 22 | US10995088, Example 22 | ...)
Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C13H14N2O3S2/c1-15-13(16)9-3-2-4-11(7-9)20(17,18)12-6-5-10(8-14)19-12/h2-7H,8,14H2,1H3,(H,15,16)
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469036
PNG
(US10807974, Example 48 | US10995088, Example 48 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1CNS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H25N3O6S4/c23-15-18-11-12-22(32-18)33(26,27)20-9-4-10-21(14-20)35(30,31)25-13-5-6-17(25)16-24-34(28,29)19-7-2-1-3-8-19/h1-4,7-12,14,17,24H,5-6,13,15-16,23H2/t17-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469006
PNG
(US10807974, Example 10 | US10995088, Example 10 | ...)
Show SMILES CS(=O)(=O)c1ccccc1S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C12H13NO4S3/c1-19(14,15)10-4-2-3-5-11(10)20(16,17)12-7-6-9(8-13)18-12/h2-7H,8,13H2,1H3
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The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469060
PNG
(US10807974, Example 83 | US10995088, Example 83 | ...)
Show SMILES Cc1ccccc1-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C19H19NO4S3/c1-13-5-3-4-6-16(13)17-11-15(8-9-18(17)26(2,21)22)27(23,24)19-10-7-14(12-20)25-19/h3-11H,12,20H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM469014
PNG
(US10807974, Example 30 | US10995088, Example 30 | ...)
Show SMILES CS(=O)(=O)NCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C14H18N2O6S4/c1-24(17,18)16-8-9-25(19,20)12-3-5-13(6-4-12)26(21,22)14-7-2-11(10-15)23-14/h2-7,16H,8-10,15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Sus scrofa)
BDBM468992
PNG
(US10807974, Example 21 | US10995088, Example 21 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H15NO2S2/c18-12-15-8-11-17(21-15)22(19,20)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-11H,12,18H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
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