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Patent code US9850203

Compile Data Set for Download or QSAR
Found 128 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
Autotaxin


(Homo sapiens (Human))
BDBM362938
PNG
(2-(6-Chloro-7-fluoro-2-methyl-3-((3-propionylpheny...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)NCC(F)(F)F)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C22H19ClF4N2O3S/c1-3-32-21(31)13-5-4-6-14(9-13)33-20-12(2)29(10-17(30)28-11-22(25,26)27)19-15(20)7-8-16(23)18(19)24/h4-9H,3,10-11H2,1-2H3,(H,28,30)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362947
PNG
(3-((6-Chloro-7-fluoro-1-(2-(indolin-1-yl)-2-oxoeth...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCc4ccccc34)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C28H24ClFN2O3S/c1-3-35-28(34)19-8-6-9-20(15-19)36-27-17(2)32(26-21(27)11-12-22(29)25(26)30)16-24(33)31-14-13-18-7-4-5-10-23(18)31/h4-12,15H,3,13-14,16H2,1-2H3
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362949
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(3-oxo-3-(phenyla...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C25H20ClFN2O3S/c1-15-24(33-18-9-5-6-16(14-18)25(31)32)19-10-11-20(26)22(27)23(19)29(15)13-12-21(30)28-17-7-3-2-4-8-17/h2-11,14H,12-13H2,1H3,(H,28,30)(H,31,32)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362955
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-((4-fluorobenzyl)oxy...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C1)OCc1ccc(F)cc1
Show InChI InChI=1/C29H25ClF2N2O4S/c1-17-28(39-22-4-2-3-19(13-22)29(36)37)23-9-10-24(30)26(32)27(23)34(17)15-25(35)33-12-11-21(14-33)38-16-18-5-7-20(31)8-6-18/h2-10,13,21H,11-12,14-16H2,1H3,(H,36,37)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362970
PNG
(3-((6-Chloro-1-(2-(3-(3,3-difluoropyrrolidin-1-yl)...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(C1)N1CCC(F)(F)C1
Show InChI InChI=1S/C25H23ClF3N3O3S/c1-14-23(36-17-4-2-3-15(9-17)24(34)35)18-5-6-19(26)21(27)22(18)32(14)12-20(33)31-10-16(11-31)30-8-7-25(28,29)13-30/h2-6,9,16H,7-8,10-13H2,1H3,(H,34,35)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362976
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(2-oxa-6...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(COC2)C1
Show InChI InChI=1S/C24H22ClFN2O4S/c1-14-22(33-16-4-2-3-15(9-16)23(30)31)17-5-6-18(25)20(26)21(17)28(14)10-19(29)27-8-7-24(11-27)12-32-13-24/h2-6,9H,7-8,10-13H2,1H3,(H,30,31)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362991
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(2-oxo-1...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCCC2(CNC(=O)O2)C1
Show InChI InChI=1/C25H23ClFN3O5S/c1-14-22(36-16-5-2-4-15(10-16)23(32)33)17-6-7-18(26)20(27)21(17)30(14)11-19(31)29-9-3-8-25(13-29)12-28-24(34)35-25/h2,4-7,10H,3,8-9,11-13H2,1H3,(H,28,34)(H,32,33)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362999
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(3-propy...)
Show SMILES CCCC1CCN(C1)C(=O)Cn1c(C)c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c12
Show InChI InChI=1/C25H26ClFN2O3S/c1-3-5-16-10-11-28(13-16)21(30)14-29-15(2)24(19-8-9-20(26)22(27)23(19)29)33-18-7-4-6-17(12-18)25(31)32/h4,6-9,12,16H,3,5,10-11,13-14H2,1-2H3,(H,31,32)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363004
PNG
(3-((6-Chloro-1-(2-(3-cyclopropyl-3-hydroxyazetidin...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(O)(C1)C1CC1
Show InChI InChI=1S/C24H22ClFN2O4S/c1-13-22(33-16-4-2-3-14(9-16)23(30)31)17-7-8-18(25)20(26)21(17)28(13)10-19(29)27-11-24(32,12-27)15-5-6-15/h2-4,7-9,15,32H,5-6,10-12H2,1H3,(H,30,31)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363023
PNG
(Methyl 6-((6-chloro-7-fluoro-1-(2-(indolin-1-yl)-2...)
Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C25H19ClFN3O3S/c1-14-24(34-20-8-4-6-18(28-20)25(32)33)16-9-10-17(26)22(27)23(16)30(14)13-21(31)29-12-11-15-5-2-3-7-19(15)29/h2-10H,11-13H2,1H3,(H,32,33)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363037
PNG
(3-((6-Chloro-7-fluoro-1-(2-((3R,4R)-3-fluoro-4-hyd...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1C[C@@H](O)[C@H](F)C1
Show InChI InChI=1/C22H18ClF3N2O4S/c1-10-21(33-16-4-2-3-11(18(16)25)22(31)32)12-5-6-13(23)19(26)20(12)28(10)9-17(30)27-7-14(24)15(29)8-27/h2-6,14-15,29H,7-9H2,1H3,(H,31,32)/t14-,15-/s2
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363046
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(spiro[cyclobu...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CCN1CC2(CCC2)c2ccccc12
Show InChI InChI=1S/C29H25ClF2N2O2S/c1-17-27(37-23-9-4-6-18(24(23)31)28(35)36)19-10-11-21(30)25(32)26(19)34(17)15-14-33-16-29(12-5-13-29)20-7-2-3-8-22(20)33/h2-4,6-11H,5,12-16H2,1H3,(H,35,36)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363048
PNG
(3-((6-Chloro-7-fluoro-1-(2-(4′-fluorospiro[c...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CCC2)c2c1cccc2F
Show InChI InChI=1S/C29H22ClF3N2O3S/c1-15-27(39-21-8-2-5-16(24(21)32)28(37)38)17-9-10-18(30)25(33)26(17)34(15)13-22(36)35-14-29(11-4-12-29)23-19(31)6-3-7-20(23)35/h2-3,5-10H,4,11-14H2,1H3,(H,37,38)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363054
PNG
(3-((2,6-dichloro-7-fluoro-1-(2-oxo-2-(spiro[cyclob...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(Cl)n(CC(=O)N3CC4(CCC4)c4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C28H20Cl2F2N2O3S/c29-18-10-9-16-24(23(18)32)33(26(30)25(16)38-20-8-3-5-15(22(20)31)27(36)37)13-21(35)34-14-28(11-4-12-28)17-6-1-2-7-19(17)34/h1-3,5-10H,4,11-14H2,(H,36,37)/p-1
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362932
PNG
(3-((6-Chloro-7-fluoro-1-(2-(isopropylamino)-2-oxoe...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)NC(C)C)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C23H24ClFN2O3S/c1-5-30-23(29)15-7-6-8-16(11-15)31-22-14(4)27(12-19(28)26-13(2)3)21-17(22)9-10-18(24)20(21)25/h6-11,13H,5,12H2,1-4H3,(H,26,28)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362946
PNG
(3-((6-Chloro-1-(2-(4-((3,4-difluorobenzyl)oxy)pipe...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCC(CC3)OCc3ccc(F)c(F)c3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C32H30ClF3N2O4S/c1-3-41-32(40)21-5-4-6-23(16-21)43-31-19(2)38(30-24(31)8-9-25(33)29(30)36)17-28(39)37-13-11-22(12-14-37)42-18-20-7-10-26(34)27(35)15-20/h4-10,15-16,22H,3,11-14,17-18H2,1-2H3
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362952
PNG
(3-((6-Chloro-1-(2-(2-cyano-7-azaspiro[3.5]nonan-7-...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCC4(CC(C4)C#N)CC3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C29H29ClFN3O3S/c1-3-37-28(36)20-5-4-6-21(13-20)38-27-18(2)34(26-22(27)7-8-23(30)25(26)31)17-24(35)33-11-9-29(10-12-33)14-19(15-29)16-32/h4-8,13,19H,3,9-12,14-15,17H2,1-2H3
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362959
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(spiro[c...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CC2)c2ccccc12
Show InChI InChI=1S/C28H22ClFN2O3S/c1-16-26(36-18-6-4-5-17(13-18)27(34)35)19-9-10-21(29)24(30)25(19)31(16)14-23(33)32-15-28(11-12-28)20-7-2-3-8-22(20)32/h2-10,13H,11-12,14-15H2,1H3,(H,34,35)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362978
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-hydroxy-3-methylazet...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(C)(O)C1
Show InChI InChI=1S/C22H20ClFN2O4S/c1-12-20(31-14-5-3-4-13(8-14)21(28)29)15-6-7-16(23)18(24)19(15)26(12)9-17(27)25-10-22(2,30)11-25/h3-8,30H,9-11H2,1-2H3,(H,28,29)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362953
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-(4-fluorophenyl)pyrr...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C1)c1ccc(F)cc1
Show InChI InChI=1/C28H23ClF2N2O3S/c1-16-27(37-21-4-2-3-18(13-21)28(35)36)22-9-10-23(29)25(31)26(22)33(16)15-24(34)32-12-11-19(14-32)17-5-7-20(30)8-6-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,35,36)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363005
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-hydroxy-3-(trifluoro...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCCC(O)(C1)C(F)(F)F
Show InChI InChI=1/C24H21ClF4N2O4S/c1-13-21(36-15-5-2-4-14(10-15)22(33)34)16-6-7-17(25)19(26)20(16)31(13)11-18(32)30-9-3-8-23(35,12-30)24(27,28)29/h2,4-7,10,35H,3,8-9,11-12H2,1H3,(H,33,34)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363006
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-hydroxy-3-(trifluoro...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(O)(C1)C(F)(F)F
Show InChI InChI=1S/C22H17ClF4N2O4S/c1-11-19(34-13-4-2-3-12(7-13)20(31)32)14-5-6-15(23)17(24)18(14)29(11)8-16(30)28-9-21(33,10-28)22(25,26)27/h2-7,33H,8-10H2,1H3,(H,31,32)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363009
PNG
(3-((1-(2-(3-(1H-Pyrazol-1-yl)azetidin-1-yl)-2-oxoe...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(C1)n1cccn1
Show InChI InChI=1S/C24H20ClFN4O3S/c1-14-23(34-17-5-2-4-15(10-17)24(32)33)18-6-7-19(25)21(26)22(18)29(14)13-20(31)28-11-16(12-28)30-9-3-8-27-30/h2-10,16H,11-13H2,1H3,(H,32,33)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363010
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(7-methyl-1,7-...)
Show SMILES CN1CCC2(CCN2C(=O)Cn2c(C)c(Sc3cccc(c3)C(O)=O)c3ccc(Cl)c(F)c23)CC1
Show InChI InChI=1S/C26H27ClFN3O3S/c1-16-24(35-18-5-3-4-17(14-18)25(33)34)19-6-7-20(27)22(28)23(19)30(16)15-21(32)31-13-10-26(31)8-11-29(2)12-9-26/h3-7,14H,8-13,15H2,1-2H3,(H,33,34)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363040
PNG
(3-((6-Chloro-1-(2-((3S,4S)-3-(dimethylamino)-4-hyd...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)C(=O)Cn1c(C)c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c12
Show InChI InChI=1/C24H24ClF2N3O4S/c1-12-23(35-18-6-4-5-13(20(18)26)24(33)34)14-7-8-15(25)21(27)22(14)30(12)11-19(32)29-9-16(28(2)3)17(31)10-29/h4-8,16-17,31H,9-11H2,1-3H3,(H,33,34)/t16-,17-/s2
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363049
PNG
(6-((6-Chloro-7-fluoro-1-(2-(4′-fluorospiro[c...)
Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CCC2)c2c1cccc2F
Show InChI InChI=1S/C28H22ClF2N3O3S/c1-15-26(38-21-8-3-6-19(32-21)27(36)37)16-9-10-17(29)24(31)25(16)33(15)13-22(35)34-14-28(11-4-12-28)23-18(30)5-2-7-20(23)34/h2-3,5-10H,4,11-14H2,1H3,(H,36,37)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363051
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(spiro[c...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CCCC2)c2ccccc12
Show InChI InChI=1S/C30H25ClF2N2O3S/c1-17-28(39-23-10-6-7-18(25(23)32)29(37)38)19-11-12-21(31)26(33)27(19)34(17)15-24(36)35-16-30(13-4-5-14-30)20-8-2-3-9-22(20)35/h2-3,6-12H,4-5,13-16H2,1H3,(H,37,38)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362940
PNG
(3-((6-Chloro-1-(2-(dimethylamino)-2-oxoethyl)-7-fl...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N(C)C)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C22H22ClFN2O3S/c1-5-29-22(28)14-7-6-8-15(11-14)30-21-13(2)26(12-18(27)25(3)4)20-16(21)9-10-17(23)19(20)24/h6-11H,5,12H2,1-4H3
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362954
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-(4-fluorobenzyl)pyrr...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(Cc2ccc(F)cc2)C1
Show InChI InChI=1/C29H25ClF2N2O3S/c1-17-28(38-22-4-2-3-20(14-22)29(36)37)23-9-10-24(30)26(32)27(23)34(17)16-25(35)33-12-11-19(15-33)13-18-5-7-21(31)8-6-18/h2-10,14,19H,11-13,15-16H2,1H3,(H,36,37)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362956
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-cyanopyrrolidin-1-yl...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C1)C#N
Show InChI InChI=1/C23H19ClFN3O3S/c1-13-22(32-16-4-2-3-15(9-16)23(30)31)17-5-6-18(24)20(25)21(17)28(13)12-19(29)27-8-7-14(10-26)11-27/h2-6,9,14H,7-8,11-12H2,1H3,(H,30,31)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362957
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(3-oxo-3-(pyrroli...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CCC(=O)N1CCCC1
Show InChI InChI=1S/C23H22ClFN2O3S/c1-14-22(31-16-6-4-5-15(13-16)23(29)30)17-7-8-18(24)20(25)21(17)27(14)12-9-19(28)26-10-2-3-11-26/h4-8,13H,2-3,9-12H2,1H3,(H,29,30)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362963
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(3-oxo-2...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCCC2(CNC(=O)C2)C1
Show InChI InChI=1/C26H25ClFN3O4S/c1-15-24(36-17-5-2-4-16(10-17)25(34)35)18-6-7-19(27)22(28)23(18)31(15)12-21(33)30-9-3-8-26(14-30)11-20(32)29-13-26/h2,4-7,10H,3,8-9,11-14H2,1H3,(H,29,32)(H,34,35)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362965
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-hydroxy-3-(trifluoro...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(O)(C1)C(F)(F)F
Show InChI InChI=1/C23H19ClF4N2O4S/c1-12-20(35-14-4-2-3-13(9-14)21(32)33)15-5-6-16(24)18(25)19(15)30(12)10-17(31)29-8-7-22(34,11-29)23(26,27)28/h2-6,9,34H,7-8,10-11H2,1H3,(H,32,33)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362967
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(spiro[c...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CCCC2)c2ccccc12
Show InChI InChI=1S/C30H26ClFN2O3S/c1-18-28(38-20-8-6-7-19(15-20)29(36)37)21-11-12-23(31)26(32)27(21)33(18)16-25(35)34-17-30(13-4-5-14-30)22-9-2-3-10-24(22)34/h2-3,6-12,15H,4-5,13-14,16-17H2,1H3,(H,36,37)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362983
PNG
(3-((1-(2-(4-(2-(1H-Pyrazol-1-yl)ethyl)piperidin-1-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(CCn2cccn2)CC1
Show InChI InChI=1S/C28H28ClFN4O3S/c1-18-27(38-21-5-2-4-20(16-21)28(36)37)22-6-7-23(29)25(30)26(22)34(18)17-24(35)32-13-8-19(9-14-32)10-15-33-12-3-11-31-33/h2-7,11-12,16,19H,8-10,13-15,17H2,1H3,(H,36,37)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362985
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(4-(pyri...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(Cc2ccncc2)CC1
Show InChI InChI=1S/C29H27ClFN3O3S/c1-18-28(38-22-4-2-3-21(16-22)29(36)37)23-5-6-24(30)26(31)27(23)34(18)17-25(35)33-13-9-20(10-14-33)15-19-7-11-32-12-8-19/h2-8,11-12,16,20H,9-10,13-15,17H2,1H3,(H,36,37)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362992
PNG
(3-((6-Chloro-1-(2-(4,6-difluoroindolin-1-yl)-2-oxo...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2c1cc(F)cc2F
Show InChI InChI=1S/C26H18ClF3N2O3S/c1-13-25(36-16-4-2-3-14(9-16)26(34)35)18-5-6-19(27)23(30)24(18)32(13)12-22(33)31-8-7-17-20(29)10-15(28)11-21(17)31/h2-6,9-11H,7-8,12H2,1H3,(H,34,35)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363011
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(3-(pyri...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(Cc2ccncc2)C1
Show InChI InChI=1/C28H25ClFN3O3S/c1-17-27(37-21-4-2-3-20(14-21)28(35)36)22-5-6-23(29)25(30)26(22)33(17)16-24(34)32-12-9-19(15-32)13-18-7-10-31-11-8-18/h2-8,10-11,14,19H,9,12-13,15-16H2,1H3,(H,35,36)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363013
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-hydroxypyrrolidin-1-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(O)C1
Show InChI InChI=1/C22H20ClFN2O4S/c1-12-21(31-15-4-2-3-13(9-15)22(29)30)16-5-6-17(23)19(24)20(16)26(12)11-18(28)25-8-7-14(27)10-25/h2-6,9,14,27H,7-8,10-11H2,1H3,(H,29,30)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363021
PNG
(3-((6-Chloro-7-fluoro-1-(2-(hexahydro-1H-isoindol-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2CCCCC2C1
Show InChI InChI=1/C26H26ClFN2O3S/c1-15-25(34-19-8-4-7-16(11-19)26(32)33)20-9-10-21(27)23(28)24(20)30(15)14-22(31)29-12-17-5-2-3-6-18(17)13-29/h4,7-11,17-18H,2-3,5-6,12-14H2,1H3,(H,32,33)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363026
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(spiro[c...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CC4(CC4)c4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C30H25ClF2N2O3S/c1-3-38-29(37)18-7-6-10-23(25(18)32)39-28-17(2)34(27-19(28)11-12-21(31)26(27)33)15-24(36)35-16-30(13-14-30)20-8-4-5-9-22(20)35/h4-12H,3,13-16H2,1-2H3
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363028
PNG
(3-((6-chloro-7-fluoro-1-(2-(3-hydroxy-3-(trifluoro...)
Show SMILES Cc1c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(O)(C1)C(F)(F)F
Show InChI InChI=1/C23H18ClF5N2O4S/c1-11-20(36-15-4-2-3-12(17(15)25)21(33)34)13-5-6-14(24)18(26)19(13)31(11)9-16(32)30-8-7-22(35,10-30)23(27,28)29/h2-6,35H,7-10H2,1H3,(H,33,34)/p-1
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363033
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-(2-hydroxypropan-2-y...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C1)C(C)(C)O
Show InChI InChI=1/C25H25ClF2N2O4S/c1-13-23(35-18-6-4-5-15(20(18)27)24(32)33)16-7-8-17(26)21(28)22(16)30(13)12-19(31)29-10-9-14(11-29)25(2,3)34/h4-8,14,34H,9-12H2,1-3H3,(H,32,33)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363034
PNG
(3-((6-Chloro-1-(2-(3-cyclopropyl-3-hydroxyazetidin...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(O)(C1)C1CC1
Show InChI InChI=1S/C24H21ClF2N2O4S/c1-12-22(34-17-4-2-3-14(19(17)26)23(31)32)15-7-8-16(25)20(27)21(15)29(12)9-18(30)28-10-24(33,11-28)13-5-6-13/h2-4,7-8,13,33H,5-6,9-11H2,1H3,(H,31,32)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363039
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-hydroxy-3-phenylpyrr...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(O)(C1)c1ccccc1
Show InChI InChI=1/C28H23ClF2N2O4S/c1-16-26(38-21-9-5-8-18(23(21)30)27(35)36)19-10-11-20(29)24(31)25(19)33(16)14-22(34)32-13-12-28(37,15-32)17-6-3-2-4-7-17/h2-11,37H,12-15H2,1H3,(H,35,36)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363057
PNG
(3-((2,6-dichloro-7-fluoro-1-(2-(spiro[cyclopropane...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(Cl)n(CCN3CC4(CC4)c4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C27H20Cl2F2N2O2S/c28-18-9-8-16-23(22(18)31)33(13-12-32-14-27(10-11-27)17-5-1-2-6-19(17)32)25(29)24(16)36-20-7-3-4-15(21(20)30)26(34)35/h1-9H,10-14H2,(H,34,35)/p-1
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363058
PNG
(3-((6-chloro-2-cyclopropyl-7-fluoro-1-(2-(spiro[cy...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(C3CC3)n(CCN3CC4(CCC4)c4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C31H27ClF2N2O2S/c32-22-12-11-20-28(26(22)34)36(16-15-35-17-31(13-4-14-31)21-6-1-2-7-23(21)35)27(18-9-10-18)29(20)39-24-8-3-5-19(25(24)33)30(37)38/h1-3,5-8,11-12,18H,4,9-10,13-17H2,(H,37,38)/p-1
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363060
PNG
(3-((2,6-dichloro-7-fluoro-1-(2-(3-hydroxy-3-(trifl...)
Show SMILES OC1(CCN(C1)C(=O)Cn1c(Cl)c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c12)C(F)(F)F
Show InChI InChI=1/C22H15Cl2F5N2O4S/c23-12-5-4-11-17(16(12)26)31(8-14(32)30-7-6-21(35,9-30)22(27,28)29)19(24)18(11)36-13-3-1-2-10(15(13)25)20(33)34/h1-5,35H,6-9H2,(H,33,34)/p-1
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362958
PNG
(3-((6-Chloro-7-fluoro-1-(3-(indolin-1-yl)-3-oxopro...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CCC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C27H22ClFN2O3S/c1-16-26(35-19-7-4-6-18(15-19)27(33)34)20-9-10-21(28)24(29)25(20)30(16)14-12-23(32)31-13-11-17-5-2-3-8-22(17)31/h2-10,15H,11-14H2,1H3,(H,33,34)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362962
PNG
(3-((6-Chloro-7-fluoro-1-(2-(6-fluoro-3,3-dimethyli...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(C)(C)c2ccc(F)cc12
Show InChI InChI=1S/C28H23ClF2N2O3S/c1-15-26(37-18-6-4-5-16(11-18)27(35)36)19-8-10-21(29)24(31)25(19)32(15)13-23(34)33-14-28(2,3)20-9-7-17(30)12-22(20)33/h4-12H,13-14H2,1-3H3,(H,35,36)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362975
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(7-oxo-2...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(C1)CNC(=O)C2
Show InChI InChI=1S/C24H21ClFN3O4S/c1-13-22(34-15-4-2-3-14(7-15)23(32)33)16-5-6-17(25)20(26)21(16)29(13)9-19(31)28-11-24(12-28)8-18(30)27-10-24/h2-7H,8-12H2,1H3,(H,27,30)(H,32,33)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362977
PNG
(3-((1-(2-((1R,5S,6R)-6-Carbamoyl-3-azabicyclo[3.1....)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2C(C1)C2C(N)=O
Show InChI InChI=1/C24H21ClFN3O4S/c1-11-22(34-13-4-2-3-12(7-13)24(32)33)14-5-6-17(25)20(26)21(14)29(11)10-18(30)28-8-15-16(9-28)19(15)23(27)31/h2-7,15-16,19H,8-10H2,1H3,(H2,27,31)(H,32,33)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362954
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-(4-fluorobenzyl)pyrr...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(Cc2ccc(F)cc2)C1
Show InChI InChI=1/C29H25ClF2N2O3S/c1-17-28(38-22-4-2-3-20(14-22)29(36)37)23-9-10-24(30)26(32)27(23)34(17)16-25(35)33-12-11-19(15-33)13-18-5-7-21(31)8-6-18/h2-10,14,19H,11-13,15-16H2,1H3,(H,36,37)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362990
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(7-methyl-2,7-...)
Show SMILES CN1CCC2(CN(C2)C(=O)Cn2c(C)c(Sc3cccc(c3)C(O)=O)c3ccc(Cl)c(F)c23)CC1
Show InChI InChI=1S/C26H27ClFN3O3S/c1-16-24(35-18-5-3-4-17(12-18)25(33)34)19-6-7-20(27)22(28)23(19)31(16)13-21(32)30-14-26(15-30)8-10-29(2)11-9-26/h3-7,12H,8-11,13-15H2,1-2H3,(H,33,34)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363001
PNG
(3-((6-Chloro-1-(2-(3,4-dihydroisoquinolin-2(1H)-yl...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C27H22ClFN2O3S/c1-16-26(35-20-8-4-7-18(13-20)27(33)34)21-9-10-22(28)24(29)25(21)31(16)15-23(32)30-12-11-17-5-2-3-6-19(17)14-30/h2-10,13H,11-12,14-15H2,1H3,(H,33,34)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363007
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(2-(1-methyl-1...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCCC1c1cnn(C)c1
Show InChI InChI=1/C26H24ClFN4O3S/c1-15-25(36-18-6-3-5-16(11-18)26(34)35)19-8-9-20(27)23(28)24(19)32(15)14-22(33)31-10-4-7-21(31)17-12-29-30(2)13-17/h3,5-6,8-9,11-13,21H,4,7,10,14H2,1-2H3,(H,34,35)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363020
PNG
(3-((6-Chloro-1-(2-(2,3-dihydro-1H-pyrrolo[2,3-c]py...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2ccncc12
Show InChI InChI=1S/C25H19ClFN3O3S/c1-14-24(34-17-4-2-3-16(11-17)25(32)33)18-5-6-19(26)22(27)23(18)30(14)13-21(31)29-10-8-15-7-9-28-12-20(15)29/h2-7,9,11-12H,8,10,13H2,1H3,(H,32,33)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363024
PNG
(3-((2,6-dichloro-7-fluoro-1-(2-oxo-2-(spiro[cyclop...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(Cl)n(CC(=O)N3CC4(CC4)c4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C27H18Cl2F2N2O3S/c28-17-9-8-15-23(22(17)31)32(25(29)24(15)37-19-7-3-4-14(21(19)30)26(35)36)12-20(34)33-13-27(10-11-27)16-5-1-2-6-18(16)33/h1-9H,10-13H2,(H,35,36)/p-1
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363032
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-hydroxy-3-methylpyrr...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C)(O)C1
Show InChI InChI=1/C23H21ClF2N2O4S/c1-12-21(33-16-5-3-4-13(18(16)25)22(30)31)14-6-7-15(24)19(26)20(14)28(12)10-17(29)27-9-8-23(2,32)11-27/h3-7,32H,8-11H2,1-2H3,(H,30,31)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363038
PNG
(3-((6-Chloro-1-(2-(3-cyanoazetidin-1-yl)-2-oxoethy...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H16ClF2N3O3S/c1-11-21(32-16-4-2-3-13(18(16)24)22(30)31)14-5-6-15(23)19(25)20(14)28(11)10-17(29)27-8-12(7-26)9-27/h2-6,12H,8-10H2,1H3,(H,30,31)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363042
PNG
(3-((6-Chloro-1-(2-(3-((dimethylamino)methyl)azetid...)
Show SMILES CN(C)CC1CN(C1)C(=O)Cn1c(C)c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c12
Show InChI InChI=1S/C24H24ClF2N3O3S/c1-13-23(34-18-6-4-5-15(20(18)26)24(32)33)16-7-8-17(25)21(27)22(16)30(13)12-19(31)29-10-14(11-29)9-28(2)3/h4-8,14H,9-12H2,1-3H3,(H,32,33)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362951
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(2-oxo-7...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCC4(CC(=O)C4)CC3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C28H28ClFN2O4S/c1-3-36-27(35)18-5-4-6-20(13-18)37-26-17(2)32(25-21(26)7-8-22(29)24(25)30)16-23(34)31-11-9-28(10-12-31)14-19(33)15-28/h4-8,13H,3,9-12,14-16H2,1-2H3
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362973
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(8-oxa-2...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(C1)CCOCC2
Show InChI InChI=1S/C26H26ClFN2O4S/c1-16-24(35-18-4-2-3-17(13-18)25(32)33)19-5-6-20(27)22(28)23(19)30(16)14-21(31)29-10-7-26(15-29)8-11-34-12-9-26/h2-6,13H,7-12,14-15H2,1H3,(H,32,33)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362974
PNG
(3-((6-Chloro-1-(2-(3-(1,1-dioxidothiomorpholino)az...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(C1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C25H25ClFN3O5S2/c1-15-24(36-18-4-2-3-16(11-18)25(32)33)19-5-6-20(26)22(27)23(19)30(15)14-21(31)29-12-17(13-29)28-7-9-37(34,35)10-8-28/h2-6,11,17H,7-10,12-14H2,1H3,(H,32,33)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363015
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(5-methylindol...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2cc(C)ccc12
Show InChI InChI=1S/C27H22ClFN2O3S/c1-15-6-9-22-17(12-15)10-11-30(22)23(32)14-31-16(2)26(20-7-8-21(28)24(29)25(20)31)35-19-5-3-4-18(13-19)27(33)34/h3-9,12-13H,10-11,14H2,1-2H3,(H,33,34)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363016
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(3-((1-methyl-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(Cc2cnn(C)c2)C1
Show InChI InChI=1/C27H26ClFN4O3S/c1-16-26(37-20-5-3-4-19(11-20)27(35)36)21-6-7-22(28)24(29)25(21)33(16)15-23(34)32-9-8-17(14-32)10-18-12-30-31(2)13-18/h3-7,11-13,17H,8-10,14-15H2,1-2H3,(H,35,36)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363041
PNG
(3-((6-Chloro-7-fluoro-1-(2-((3S,4S)-3-hydroxy-4-(4...)
Show SMILES CN1CCN(CC1)[C@H]1CN(C[C@@H]1O)C(=O)Cn1c(C)c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c12
Show InChI InChI=1/C27H29ClF2N4O4S/c1-15-26(39-21-5-3-4-16(23(21)29)27(37)38)17-6-7-18(28)24(30)25(17)34(15)14-22(36)33-12-19(20(35)13-33)32-10-8-31(2)9-11-32/h3-7,19-20,35H,8-14H2,1-2H3,(H,37,38)/t19-,20-/s2
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363045
PNG
(3-((6-chloro-7-fluoro-2-methyl-1-(2-(spiro[cyclopr...)
Show SMILES Cc1c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c2n1CCN1CC2(CC2)c2ccccc12
Show InChI InChI=1S/C28H23ClF2N2O2S/c1-16-26(36-22-8-4-5-17(23(22)30)27(34)35)18-9-10-20(29)24(31)25(18)33(16)14-13-32-15-28(11-12-28)19-6-2-3-7-21(19)32/h2-10H,11-15H2,1H3,(H,34,35)/p-1
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363050
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(spiro[c...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CCC2)c2ccccc12
Show InChI InChI=1S/C29H23ClF2N2O3S/c1-16-27(38-22-9-4-6-17(24(22)31)28(36)37)18-10-11-20(30)25(32)26(18)33(16)14-23(35)34-15-29(12-5-13-29)19-7-2-3-8-21(19)34/h2-4,6-11H,5,12-15H2,1H3,(H,36,37)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362945
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(2-oxo-1-oxa-3...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCC4(CNC(=O)O4)CC3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C27H27ClFN3O5S/c1-3-36-25(34)17-5-4-6-18(13-17)38-24-16(2)32(23-19(24)7-8-20(28)22(23)29)14-21(33)31-11-9-27(10-12-31)15-30-26(35)37-27/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,30,35)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362953
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-(4-fluorophenyl)pyrr...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C1)c1ccc(F)cc1
Show InChI InChI=1/C28H23ClF2N2O3S/c1-16-27(37-21-4-2-3-18(13-21)28(35)36)22-9-10-23(29)25(31)26(22)33(16)15-24(34)32-12-11-19(14-32)17-5-7-20(30)8-6-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,35,36)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362960
PNG
(3-((6-Chloro-7-fluoro-1-(2-(5′-fluorospiro[c...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CC2)c2cc(F)ccc12
Show InChI InChI=1S/C28H21ClF2N2O3S/c1-15-26(37-18-4-2-3-16(11-18)27(35)36)19-6-7-21(29)24(31)25(19)32(15)13-23(34)33-14-28(9-10-28)20-12-17(30)5-8-22(20)33/h2-8,11-12H,9-10,13-14H2,1H3,(H,35,36)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362964
PNG
(3-((6-Chloro-1-(2-(3,4-dihydroquinolin-1(2H)-yl)-2...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C27H22ClFN2O3S/c1-16-26(35-19-9-4-7-18(14-19)27(33)34)20-11-12-21(28)24(29)25(20)31(16)15-23(32)30-13-5-8-17-6-2-3-10-22(17)30/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,33,34)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362966
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(1′-meth...)
Show SMILES CN1CCC2(CN(C(=O)Cn3c(C)c(Sc4cccc(c4)C(O)=O)c4ccc(Cl)c(F)c34)c3ccccc23)CC1
Show InChI InChI=1S/C31H29ClFN3O3S/c1-19-29(40-21-7-5-6-20(16-21)30(38)39)22-10-11-24(32)27(33)28(22)35(19)17-26(37)36-18-31(12-14-34(2)15-13-31)23-8-3-4-9-25(23)36/h3-11,16H,12-15,17-18H2,1-2H3,(H,38,39)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362971
PNG
(3-((6-Chloro-1-(2-(4,4-dimethylpiperidin-1-yl)-2-o...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C)(C)CC1
Show InChI InChI=1S/C25H26ClFN2O3S/c1-15-23(33-17-6-4-5-16(13-17)24(31)32)18-7-8-19(26)21(27)22(18)29(15)14-20(30)28-11-9-25(2,3)10-12-28/h4-8,13H,9-12,14H2,1-3H3,(H,31,32)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362993
PNG
(3-((6-Chloro-1-(2-(5-chloroindolin-1-yl)-2-oxoethy...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2cc(Cl)ccc12
Show InChI InChI=1S/C26H19Cl2FN2O3S/c1-14-25(35-18-4-2-3-16(12-18)26(33)34)19-6-7-20(28)23(29)24(19)31(14)13-22(32)30-10-9-15-11-17(27)5-8-21(15)30/h2-8,11-12H,9-10,13H2,1H3,(H,33,34)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363018
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(5-azasp...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(CC2)C1
Show InChI InChI=1S/C24H22ClFN2O3S/c1-14-22(32-16-4-2-3-15(11-16)23(30)31)17-5-6-18(25)20(26)21(17)28(14)12-19(29)27-10-9-24(13-27)7-8-24/h2-6,11H,7-10,12-13H2,1H3,(H,30,31)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363019
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(3-(1-methyl-1...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C1)c1cnn(C)c1
Show InChI InChI=1/C26H24ClFN4O3S/c1-15-25(36-19-5-3-4-16(10-19)26(34)35)20-6-7-21(27)23(28)24(20)32(15)14-22(33)31-9-8-17(13-31)18-11-29-30(2)12-18/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,34,35)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363025
PNG
(6-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(spiro[c...)
Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CC2)c2ccccc12
Show InChI InChI=1S/C27H21ClFN3O3S/c1-15-25(36-21-8-4-6-19(30-21)26(34)35)16-9-10-18(28)23(29)24(16)31(15)13-22(33)32-14-27(11-12-27)17-5-2-3-7-20(17)32/h2-10H,11-14H2,1H3,(H,34,35)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363028
PNG
(3-((6-chloro-7-fluoro-1-(2-(3-hydroxy-3-(trifluoro...)
Show SMILES Cc1c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(O)(C1)C(F)(F)F
Show InChI InChI=1/C23H18ClF5N2O4S/c1-11-20(36-15-4-2-3-12(17(15)25)21(33)34)13-5-6-14(24)18(26)19(13)31(11)9-16(32)30-8-7-22(35,10-30)23(27,28)29/h2-6,35H,7-10H2,1H3,(H,33,34)/p-1
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363035
PNG
((R)-3-((6-Chloro-7-fluoro-1-(2-(3-(hydroxymethyl)p...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC[C@@H](CO)C1
Show InChI InChI=1/C23H21ClF2N2O4S/c1-12-22(33-17-4-2-3-14(19(17)25)23(31)32)15-5-6-16(24)20(26)21(15)28(12)10-18(30)27-8-7-13(9-27)11-29/h2-6,13,29H,7-11H2,1H3,(H,31,32)/t13-/s2
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363047
PNG
(3-[6-Chloro-7-fluoro-1-[2-(5′-fluorospiro[cy...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CC2)c2cc(F)ccc12
Show InChI InChI=1S/C28H20ClF3N2O3S/c1-14-26(38-21-4-2-3-16(23(21)31)27(36)37)17-6-7-19(29)24(32)25(17)33(14)12-22(35)34-13-28(9-10-28)18-11-15(30)5-8-20(18)34/h2-8,11H,9-10,12-13H2,1H3,(H,36,37)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363059
PNG
(3-((6-chloro-2-cyclopropyl-7-fluoro-1-(2-(indolin-...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(C3CC3)n(CCN3CCc4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C28H23ClF2N2O2S/c29-20-11-10-19-26(24(20)31)33(15-14-32-13-12-16-4-1-2-6-21(16)32)25(17-8-9-17)27(19)36-22-7-3-5-18(23(22)30)28(34)35/h1-7,10-11,17H,8-9,12-15H2,(H,34,35)/p-1
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363061
PNG
(3-((6-chloro-2-cyclopropyl-7-fluoro-1-(2-(3-hydrox...)
Show SMILES OC1(CCN(C1)C(=O)Cn1c(C2CC2)c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c12)C(F)(F)F
Show InChI InChI=1/C25H20ClF5N2O4S/c26-15-7-6-14-21(19(15)28)33(10-17(34)32-9-8-24(37,11-32)25(29,30)31)20(12-4-5-12)22(14)38-16-3-1-2-13(18(16)27)23(35)36/h1-3,6-7,12,37H,4-5,8-11H2,(H,35,36)/p-1
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362942
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(pyrroli...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCCC3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C24H24ClFN2O3S/c1-3-31-24(30)16-7-6-8-17(13-16)32-23-15(2)28(14-20(29)27-11-4-5-12-27)22-18(23)9-10-19(25)21(22)26/h6-10,13H,3-5,11-12,14H2,1-2H3
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362969
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(2-oxo-1...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(CC(=O)N2)CC1
Show InChI InChI=1S/C25H23ClFN3O4S/c1-14-23(35-16-4-2-3-15(11-16)24(33)34)17-5-6-18(26)21(27)22(17)30(14)13-20(32)29-9-7-25(8-10-29)12-19(31)28-25/h2-6,11H,7-10,12-13H2,1H3,(H,28,31)(H,33,34)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362972
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(3-oxo-2...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(CNC(=O)C2)CC1
Show InChI InChI=1S/C26H25ClFN3O4S/c1-15-24(36-17-4-2-3-16(11-17)25(34)35)18-5-6-19(27)22(28)23(18)31(15)13-21(33)30-9-7-26(8-10-30)12-20(32)29-14-26/h2-6,11H,7-10,12-14H2,1H3,(H,29,32)(H,34,35)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362980
PNG
(3-((6-Chloro-1-(2-(5-methoxyindolin-1-yl)-2-oxoeth...)
Show SMILES COc1ccc2N(CCc2c1)C(=O)Cn1c(C)c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c12
Show InChI InChI=1S/C27H22ClFN2O4S/c1-15-26(36-19-5-3-4-17(13-19)27(33)34)20-7-8-21(28)24(29)25(20)31(15)14-23(32)30-11-10-16-12-18(35-2)6-9-22(16)30/h3-9,12-13H,10-11,14H2,1-2H3,(H,33,34)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362995
PNG
(3-((6-Chloro-1-(2-(6-chloroindolin-1-yl)-2-oxoethy...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2ccc(Cl)cc12
Show InChI InChI=1S/C26H19Cl2FN2O3S/c1-14-25(35-18-4-2-3-16(11-18)26(33)34)19-7-8-20(28)23(29)24(19)31(14)13-22(32)30-10-9-15-5-6-17(27)12-21(15)30/h2-8,11-12H,9-10,13H2,1H3,(H,33,34)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363003
PNG
(3-((6-Chloro-7-fluoro-1-(2-(4-fluoroindolin-1-yl)-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2c1cccc2F
Show InChI InChI=1S/C26H19ClF2N2O3S/c1-14-25(35-16-5-2-4-15(12-16)26(33)34)18-8-9-19(27)23(29)24(18)31(14)13-22(32)30-11-10-17-20(28)6-3-7-21(17)30/h2-9,12H,10-11,13H2,1H3,(H,33,34)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363014
PNG
(3-((6-Chloro-7-fluoro-1-(2-(isoindolin-2-yl)-2-oxo...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C26H20ClFN2O3S/c1-15-25(34-19-8-4-7-16(11-19)26(32)33)20-9-10-21(27)23(28)24(20)30(15)14-22(31)29-12-17-5-2-3-6-18(17)13-29/h2-11H,12-14H2,1H3,(H,32,33)
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363028
PNG
(3-((6-chloro-7-fluoro-1-(2-(3-hydroxy-3-(trifluoro...)
Show SMILES Cc1c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(O)(C1)C(F)(F)F
Show InChI InChI=1/C23H18ClF5N2O4S/c1-11-20(36-15-4-2-3-12(17(15)25)21(33)34)13-5-6-14(24)18(26)19(13)31(11)9-16(32)30-8-7-22(35,10-30)23(27,28)29/h2-6,35H,7-10H2,1H3,(H,33,34)/p-1
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363043
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(1,4-dio...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(C1)OCCO2
Show InChI InChI=1S/C24H21ClF2N2O5S/c1-13-22(35-17-4-2-3-14(19(17)26)23(31)32)15-5-6-16(25)20(27)21(15)29(13)11-18(30)28-8-7-24(12-28)33-9-10-34-24/h2-6H,7-12H2,1H3,(H,31,32)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363055
PNG
(3-((6-chloro-2-cyclopropyl-7-fluoro-1-(2-oxo-2-(sp...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(C3CC3)n(CC(=O)N3CC4(CCC4)c4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C31H25ClF2N2O3S/c32-21-12-11-19-28(26(21)34)35(15-24(37)36-16-31(13-4-14-31)20-6-1-2-7-22(20)36)27(17-9-10-17)29(19)40-23-8-3-5-18(25(23)33)30(38)39/h1-3,5-8,11-12,17H,4,9-10,13-16H2,(H,38,39)/p-1
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362939
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-((1-methyl-1H-...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)Nc3cnn(C)c3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C24H22ClFN4O3S/c1-4-33-24(32)15-6-5-7-17(10-15)34-23-14(2)30(22-18(23)8-9-19(25)21(22)26)13-20(31)28-16-11-27-29(3)12-16/h5-12H,4,13H2,1-3H3,(H,28,31)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362943
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(piperid...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCCCC3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C25H26ClFN2O3S/c1-3-32-25(31)17-8-7-9-18(14-17)33-24-16(2)29(15-21(30)28-12-5-4-6-13-28)23-19(24)10-11-20(26)22(23)27/h7-11,14H,3-6,12-13,15H2,1-2H3
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362961
PNG
(3-((6-Chloro-7-fluoro-1-(2-(4′-fluorospiro[c...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CCC2)c2c1cccc2F
Show InChI InChI=1S/C29H23ClF2N2O3S/c1-16-27(38-18-6-2-5-17(13-18)28(36)37)19-9-10-20(30)25(32)26(19)33(16)14-23(35)34-15-29(11-4-12-29)24-21(31)7-3-8-22(24)34/h2-3,5-10,13H,4,11-12,14-15H2,1H3,(H,36,37)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362979
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(10-oxo-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(CC1)CCNC(=O)CC2
Show InChI InChI=1S/C28H29ClFN3O4S/c1-17-26(38-19-4-2-3-18(15-19)27(36)37)20-5-6-21(29)24(30)25(20)33(17)16-23(35)32-13-10-28(11-14-32)8-7-22(34)31-12-9-28/h2-6,15H,7-14,16H2,1H3,(H,31,34)(H,36,37)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362986
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(4-(1-methyl-1...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(CC1)c1cnn(C)c1
Show InChI InChI=1S/C27H26ClFN4O3S/c1-16-26(37-20-5-3-4-18(12-20)27(35)36)21-6-7-22(28)24(29)25(21)33(16)15-23(34)32-10-8-17(9-11-32)19-13-30-31(2)14-19/h3-7,12-14,17H,8-11,15H2,1-2H3,(H,35,36)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363002
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(6-(trif...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C27H19ClF4N2O3S/c1-14-25(38-18-4-2-3-16(11-18)26(36)37)19-7-8-20(28)23(29)24(19)34(14)13-22(35)33-10-9-15-5-6-17(12-21(15)33)27(30,31)32/h2-8,11-12H,9-10,13H2,1H3,(H,36,37)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363012
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(3-(pyri...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C1)c1ccncc1
Show InChI InChI=1/C27H23ClFN3O3S/c1-16-26(36-20-4-2-3-18(13-20)27(34)35)21-5-6-22(28)24(29)25(21)32(16)15-23(33)31-12-9-19(14-31)17-7-10-30-11-8-17/h2-8,10-11,13,19H,9,12,14-15H2,1H3,(H,34,35)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363017
PNG
(3-((1-(2-(2-(2-(1H-Pyrazol-1-yl)ethyl)piperidin-1-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCCCC1CCn1cccn1
Show InChI InChI=1/C28H28ClFN4O3S/c1-18-27(38-21-8-4-6-19(16-21)28(36)37)22-9-10-23(29)25(30)26(22)34(18)17-24(35)33-14-3-2-7-20(33)11-15-32-13-5-12-31-32/h4-6,8-10,12-13,16,20H,2-3,7,11,14-15,17H2,1H3,(H,36,37)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363022
PNG
(6-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(2-oxo-1...)
Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C24H22ClFN4O5S/c1-13-21(36-17-4-2-3-16(28-17)22(32)33)14-5-6-15(25)19(26)20(14)30(13)11-18(31)29-9-7-24(8-10-29)12-27-23(34)35-24/h2-6H,7-12H2,1H3,(H,27,34)(H,32,33)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363027
PNG
(6-((6-Chloro-7-fluoro-1-(2-(3-hydroxy-3-(trifluoro...)
Show SMILES Cc1c(Sc2cccc(n2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(O)(C1)C(F)(F)F
Show InChI InChI=1/C22H18ClF4N3O4S/c1-11-19(35-15-4-2-3-14(28-15)20(32)33)12-5-6-13(23)17(24)18(12)30(11)9-16(31)29-8-7-21(34,10-29)22(25,26)27/h2-6,34H,7-10H2,1H3,(H,32,33)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363031
PNG
(3-((6-Chloro-1-(2-(2,3-dihydro-1H-pyrrolo[2,3-c]py...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2ccncc12
Show InChI InChI=1S/C25H18ClF2N3O3S/c1-13-24(35-19-4-2-3-15(21(19)27)25(33)34)16-5-6-17(26)22(28)23(16)31(13)12-20(32)30-10-8-14-7-9-29-11-18(14)30/h2-7,9,11H,8,10,12H2,1H3,(H,33,34)
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363036
PNG
(3-((6-Chloro-7-fluoro-1-(2-((3S,4S)-3-hydroxy-4-mo...)
Show SMILES Cc1c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1C[C@H](O)[C@H](C1)N1CCOCC1
Show InChI InChI=1/C26H26ClF2N3O5S/c1-14-25(38-20-4-2-3-15(22(20)28)26(35)36)16-5-6-17(27)23(29)24(16)32(14)13-21(34)31-11-18(19(33)12-31)30-7-9-37-10-8-30/h2-6,18-19,33H,7-13H2,1H3,(H,35,36)/t18-,19-/s2
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363044
PNG
(3-((6-chloro-7-fluoro-1-(2-(indolin-1-yl)ethyl)-2-...)
Show SMILES Cc1c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c2n1CCN1CCc2ccccc12
Show InChI InChI=1S/C26H21ClF2N2O2S/c1-15-25(34-21-8-4-6-17(22(21)28)26(32)33)18-9-10-19(27)23(29)24(18)31(15)14-13-30-12-11-16-5-2-3-7-20(16)30/h2-10H,11-14H2,1H3,(H,32,33)/p-1
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363052
PNG
(3-((6-chloro-2-cyclopropyl-7-fluoro-1-(2-(indolin-...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(C3CC3)n(CC(=O)N3CCc4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C28H21ClF2N2O3S/c29-19-11-10-18-26(24(19)31)33(14-22(34)32-13-12-15-4-1-2-6-20(15)32)25(16-8-9-16)27(18)37-21-7-3-5-17(23(21)30)28(35)36/h1-7,10-11,16H,8-9,12-14H2,(H,35,36)/p-1
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363053
PNG
(3-((6-chloro-2-cyclopropyl-7-fluoro-1-(2-oxo-2-(sp...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(C3CC3)n(CC(=O)N3CC4(CC4)c4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C30H23ClF2N2O3S/c31-20-11-10-18-27(25(20)33)34(14-23(36)35-15-30(12-13-30)19-5-1-2-6-21(19)35)26(16-8-9-16)28(18)39-22-7-3-4-17(24(22)32)29(37)38/h1-7,10-11,16H,8-9,12-15H2,(H,37,38)/p-1
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363056
PNG
(3-((2,6-dichloro-7-fluoro-1-(2-(spiro[cyclobutane-...)
Show SMILES [O-]C(=O)c1cccc(Sc2c(Cl)n(CCN3CC4(CCC4)c4ccccc34)c3c(F)c(Cl)ccc23)c1F
Show InChI InChI=1S/C28H22Cl2F2N2O2S/c29-19-10-9-17-24(23(19)32)34(26(30)25(17)37-21-8-3-5-16(22(21)31)27(35)36)14-13-33-15-28(11-4-12-28)18-6-1-2-7-20(18)33/h1-3,5-10H,4,11-15H2,(H,35,36)/p-1
PDB

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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362984
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(4-phene...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C31H30ClFN2O3S/c1-20-30(39-24-9-5-8-23(18-24)31(37)38)25-12-13-26(32)28(33)29(25)35(20)19-27(36)34-16-14-22(15-17-34)11-10-21-6-3-2-4-7-21/h2-9,12-13,18,22H,10-11,14-17,19H2,1H3,(H,37,38)
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n/an/a 1.75E+3n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363000
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(3-(4-(t...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(Cc2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1/C30H25ClF4N2O3S/c1-17-28(41-22-4-2-3-20(14-22)29(39)40)23-9-10-24(31)26(32)27(23)37(17)16-25(38)36-12-11-19(15-36)13-18-5-7-21(8-6-18)30(33,34)35/h2-10,14,19H,11-13,15-16H2,1H3,(H,39,40)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362968
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(1-(pyrr...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(CC2C(=O)N2CCCC2)CC1
Show InChI InChI=1/C30H31ClFN3O4S/c1-18-27(40-20-6-4-5-19(15-20)29(38)39)21-7-8-23(31)25(32)26(21)35(18)17-24(36)33-13-9-30(10-14-33)16-22(30)28(37)34-11-2-3-12-34/h4-8,15,22H,2-3,9-14,16-17H2,1H3,(H,38,39)
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362933
PNG
(3-((6-Chloro-1-(2-(cyclohexylamino)-2-oxoethyl)-7-...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)NC3CCCCC3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C26H28ClFN2O3S/c1-3-33-26(32)17-8-7-11-19(14-17)34-25-16(2)30(24-20(25)12-13-21(27)23(24)28)15-22(31)29-18-9-5-4-6-10-18/h7-8,11-14,18H,3-6,9-10,15H2,1-2H3,(H,29,31)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362936
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(phenyla...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)Nc3ccccc3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C26H22ClFN2O3S/c1-3-33-26(32)17-8-7-11-19(14-17)34-25-16(2)30(24-20(25)12-13-21(27)23(24)28)15-22(31)29-18-9-5-4-6-10-18/h4-14H,3,15H2,1-2H3,(H,29,31)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362948
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-(4-fluorobenzyl)pipe...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N3CCCC(Cc4ccc(F)cc4)C3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1/C32H31ClF2N2O3S/c1-3-40-32(39)23-7-4-8-25(17-23)41-31-20(2)37(30-26(31)13-14-27(33)29(30)35)19-28(38)36-15-5-6-22(18-36)16-21-9-11-24(34)12-10-21/h4,7-14,17,22H,3,5-6,15-16,18-19H2,1-2H3
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM363062
PNG
(3-((6-chloro-2-cyclopropyl-7-fluoro-1-(2-(methoxy(...)
Show SMILES CON(C)C(=O)Cn1c(C2CC2)c(Sc2cccc(C([O-])=O)c2F)c2ccc(Cl)c(F)c12
Show InChI InChI=1S/C22H19ClF2N2O4S/c1-26(31-2)16(28)10-27-19(11-6-7-11)21(13-8-9-14(23)18(25)20(13)27)32-15-5-3-4-12(17(15)24)22(29)30/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,29,30)/p-1
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362944
PNG
(3-((6-Chloro-7-fluoro-1-(2-(isoxazol-4-ylamino)-2-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)Nc1cnoc1
Show InChI InChI=1S/C21H15ClFN3O4S/c1-11-20(31-14-4-2-3-12(7-14)21(28)29)15-5-6-16(22)18(23)19(15)26(11)9-17(27)25-13-8-24-30-10-13/h2-8,10H,9H2,1H3,(H,25,27)(H,28,29)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362954
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-(4-fluorobenzyl)pyrr...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(Cc2ccc(F)cc2)C1
Show InChI InChI=1/C29H25ClF2N2O3S/c1-17-28(38-22-4-2-3-20(14-22)29(36)37)23-9-10-24(30)26(32)27(23)34(17)16-25(35)33-12-11-19(15-33)13-18-5-7-21(31)8-6-18/h2-10,14,19H,11-13,15-16H2,1H3,(H,36,37)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362981
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(2-oxopy...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCCC1=O
Show InChI InChI=1S/C22H18ClFN2O4S/c1-12-21(31-14-5-2-4-13(10-14)22(29)30)15-7-8-16(23)19(24)20(15)26(12)11-18(28)25-9-3-6-17(25)27/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,29,30)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362982
PNG
(3-((6-Chloro-7-fluoro-1-(2-(4-(4-fluorobenzyl)pipe...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H27ClF2N2O3S/c1-18-29(39-23-4-2-3-21(16-23)30(37)38)24-9-10-25(31)27(33)28(24)35(18)17-26(36)34-13-11-20(12-14-34)15-19-5-7-22(32)8-6-19/h2-10,16,20H,11-15,17H2,1H3,(H,37,38)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362994
PNG
(3-((6-Chloro-1-(2-(2,3-dihydro-1H-pyrrolo[2,3-b]py...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2cccnc12
Show InChI InChI=1S/C25H19ClFN3O3S/c1-14-23(34-17-6-2-4-16(12-17)25(32)33)18-7-8-19(26)21(27)22(18)30(14)13-20(31)29-11-9-15-5-3-10-28-24(15)29/h2-8,10,12H,9,11,13H2,1H3,(H,32,33)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362953
PNG
(3-((6-Chloro-7-fluoro-1-(2-(3-(4-fluorophenyl)pyrr...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(C1)c1ccc(F)cc1
Show InChI InChI=1/C28H23ClF2N2O3S/c1-16-27(37-21-4-2-3-18(13-21)28(35)36)22-9-10-23(29)25(31)26(22)33(16)15-24(34)32-12-11-19(14-32)17-5-7-20(30)8-6-17/h2-10,13,19H,11-12,14-15H2,1H3,(H,35,36)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362998
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-oxo-2-(3-phene...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC(CCc2ccccc2)C1
Show InChI InChI=1/C30H28ClFN2O3S/c1-19-29(38-23-9-5-8-22(16-23)30(36)37)24-12-13-25(31)27(32)28(24)34(19)18-26(35)33-15-14-21(17-33)11-10-20-6-3-2-4-7-20/h2-9,12-13,16,21H,10-11,14-15,17-18H2,1H3,(H,36,37)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362941
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(methyl(phenyl...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)N(C)c3ccccc3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C27H24ClFN2O3S/c1-4-34-27(33)18-9-8-12-20(15-18)35-26-17(2)31(25-21(26)13-14-22(28)24(25)29)16-23(32)30(3)19-10-6-5-7-11-19/h5-15H,4,16H2,1-3H3
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362989
PNG
(3-((1-(2-(8-Benzyl-2,8-diazaspiro[4.5]decan-2-yl)-...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCC2(C1)CCN(Cc1ccccc1)CC2
Show InChI InChI=1S/C33H33ClFN3O3S/c1-22-31(42-25-9-5-8-24(18-25)32(40)41)26-10-11-27(34)29(35)30(26)38(22)20-28(39)37-17-14-33(21-37)12-15-36(16-13-33)19-23-6-3-2-4-7-23/h2-11,18H,12-17,19-21H2,1H3,(H,40,41)
PDB

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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362937
PNG
(3-((6-Chloro-1-(2-((3,5-dichlorophenyl)amino)-2-ox...)
Show SMILES CCOC(=O)c1cccc(Sc2c(C)n(CC(=O)Nc3cc(Cl)cc(Cl)c3)c3c(F)c(Cl)ccc23)c1
Show InChI InChI=1S/C26H20Cl3FN2O3S/c1-3-35-26(34)15-5-4-6-19(9-15)36-25-14(2)32(24-20(25)7-8-21(29)23(24)30)13-22(33)31-18-11-16(27)10-17(28)12-18/h4-12H,3,13H2,1-2H3,(H,31,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM362950
PNG
(3-((1-(Benzylcarbamoyl)-6-chloro-2-methyl-1H-indol...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H19ClN2O3S/c1-15-22(31-19-9-5-8-17(12-19)23(28)29)20-11-10-18(25)13-21(20)27(15)24(30)26-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,26,30)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%