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Patent code US9493486

Compile Data Set for Download or QSAR
Found 113 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))
BDBM258574
PNG
(US9493486, 12.36)
Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N5O3/c24-17-10-16(23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258590
PNG
(US9493486, 15B)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C23H25F4N5O4/c24-17-10-16(36-23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)/t14-/m1/s1
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258581
PNG
(US9493486, 12.43)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4[nH]nnc4C3)CC2)cc1
Show InChI InChI=1S/C23H26F3N5O4/c24-23(25,26)35-17-4-1-15(2-5-17)12-34-21(33)30-9-7-22(8-10-30)13-31(14-22)20(32)16-3-6-18-19(11-16)28-29-27-18/h1-2,4-5,16H,3,6-14H2,(H,27,28,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258501
PNG
(US9493486, 1.23)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1F
Show InChI InChI=1S/C23H23F4N3O6S/c24-19-11-17(36-23(25,26)27)4-1-16(19)12-35-21(32)29-9-7-22(8-10-29)13-30(14-22)20(31)15-2-5-18(6-3-15)37(28,33)34/h1-6,11H,7-10,12-14H2,(H2,28,33,34)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258580
PNG
(US9493486, 12.42)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C23H25F4N5O4/c24-17-10-16(36-23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258585
PNG
(US9493486, 13.01)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C22H24F4N6O4/c23-16-9-15(36-22(24,25)26)2-1-14(16)11-35-20(34)30-7-4-21(5-8-30)12-32(13-21)19(33)31-6-3-17-18(10-31)28-29-27-17/h1-2,9H,3-8,10-13H2,(H,27,28,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258575
PNG
(US9493486, 12.37)
Show SMILES Cc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C24H28F3N5O4/c1-15-10-18(36-24(25,26)27)4-2-17(15)12-35-22(34)31-8-6-23(7-9-31)13-32(14-23)21(33)16-3-5-19-20(11-16)29-30-28-19/h2,4,10,16H,3,5-9,11-14H2,1H3,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258579
PNG
(US9493486, 12.41)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CC2(C1)CCN(CC2)C(=O)C1CCc2[nH]nnc2C1
Show InChI InChI=1S/C23H25F4N5O4/c24-17-10-16(36-23(25,26)27)3-1-15(17)11-35-21(34)32-12-22(13-32)5-7-31(8-6-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258578
PNG
(US9493486, 12.40)
Show SMILES Fc1cc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4nn[nH]c4C3)CC2)ccc1OCC(F)(F)F
Show InChI InChI=1S/C24H27F4N5O4/c25-17-9-15(1-4-20(17)37-14-24(26,27)28)11-36-22(35)32-7-5-23(6-8-32)12-33(13-23)21(34)16-2-3-18-19(10-16)30-31-29-18/h1,4,9,16H,2-3,5-8,10-14H2,(H,29,30,31)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258576
PNG
(US9493486, 12.38)
Show SMILES Fc1cc(OCC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3nn[nH]c3C2)CC1
Show InChI InChI=1S/C24H27F4N5O4/c25-18-10-17(37-14-24(26,27)28)3-1-16(18)11-36-22(35)32-7-5-23(6-8-32)12-33(13-23)21(34)15-2-4-19-20(9-15)30-31-29-19/h1,3,10,15H,2,4-9,11-14H2,(H,29,30,31)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258584
PNG
(US9493486, 13)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)N3CCc4[nH]nnc4C3)CC2)cc1
Show InChI InChI=1S/C22H25F3N6O4/c23-22(24,25)35-16-3-1-15(2-4-16)12-34-20(33)29-9-6-21(7-10-29)13-31(14-21)19(32)30-8-5-17-18(11-30)27-28-26-17/h1-4H,5-14H2,(H,26,27,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258573
PNG
(US9493486, 12.35)
Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCC4NN=NC4C3)CC2)cc1
Show InChI InChI=1S/C23H28F3N5O3/c24-23(25,26)17-4-1-15(2-5-17)12-34-21(33)30-9-7-22(8-10-30)13-31(14-22)20(32)16-3-6-18-19(11-16)28-29-27-18/h1-2,4-5,16,18-19H,3,6-14H2,(H,27,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258577
PNG
(US9493486, 12.39)
Show SMILES FC(F)(F)COc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4nn[nH]c4C3)CC2)cc1
Show InChI InChI=1S/C24H28F3N5O4/c25-24(26,27)15-36-18-4-1-16(2-5-18)12-35-22(34)31-9-7-23(8-10-31)13-32(14-23)21(33)17-3-6-19-20(11-17)29-30-28-19/h1-2,4-5,17H,3,6-15H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258510
PNG
(US9493486, 3)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C22H21Cl2N3O6S/c23-15-7-14(8-16(24)9-15)11-32-21(29)26-5-3-22(4-6-26)12-27(13-22)34(30,31)17-1-2-18-19(10-17)33-20(28)25-18/h1-2,7-10H,3-6,11-13H2,(H,25,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258508
PNG
(BDBM258518 | US9493486, 2.1)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C23H21Cl2N3O5/c24-16-7-14(8-17(25)10-16)11-32-22(31)27-5-3-23(4-6-27)12-28(13-23)20(29)15-1-2-18-19(9-15)33-21(30)26-18/h1-2,7-10H,3-6,11-13H2,(H,26,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258504
PNG
(US9493486, 1.26)
Show SMILES CC(C)c1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C25H28ClN5O3/c1-16(2)19-12-18(26)4-6-22(19)34-13-23(32)30-9-7-25(8-10-30)14-31(15-25)24(33)17-3-5-20-21(11-17)28-29-27-20/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H,27,28,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258582
PNG
(US9493486, 12.44)
Show SMILES FC(F)(F)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C23H21ClF3N5O3/c24-17-8-14(7-16(10-17)23(25,26)27)11-35-21(34)31-5-3-22(4-6-31)12-32(13-22)20(33)15-1-2-18-19(9-15)29-30-28-18/h1-2,7-10H,3-6,11-13H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258591
PNG
(US9493486, 16B)
Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N5O3/c24-17-10-16(23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)/t14-/m1/s1
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258572
PNG
(US9493486, 12.34)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)C2CCc3[nH]nnc3C2)cc1
Show InChI InChI=1S/C23H26F3N5O4/c24-23(25,26)35-17-4-1-15(2-5-17)12-34-21(33)31-13-22(14-31)7-9-30(10-8-22)20(32)16-3-6-18-19(11-16)28-29-27-18/h1-2,4-5,16H,3,6-14H2,(H,27,28,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258502
PNG
(US9493486, 1.24)
Show SMILES FC(F)(F)Oc1ccc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1
Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-18-5-1-16(2-6-18)3-8-21(33)31-11-9-23(10-12-31)14-32(15-23)22(34)17-4-7-19-20(13-17)29-30-28-19/h1-2,4-7,13H,3,8-12,14-15H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258571
PNG
(US9493486, 12.33)
Show SMILES Fc1cc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)C2CCc3[nH]nnc3C2)ccc1OC(F)(F)F
Show InChI InChI=1S/C23H25F4N5O4/c24-16-9-14(1-4-19(16)36-23(25,26)27)11-35-21(34)32-12-22(13-32)5-7-31(8-6-22)20(33)15-2-3-17-18(10-15)29-30-28-17/h1,4,9,15H,2-3,5-8,10-13H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258509
PNG
(US9493486, 2.2)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C23H21Cl2N3O5/c24-16-7-14(8-17(25)10-16)11-32-22(31)28-12-23(13-28)3-5-27(6-4-23)20(29)15-1-2-18-19(9-15)33-21(30)26-18/h1-2,7-10H,3-6,11-13H2,(H,26,30)
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n/an/a 13.7n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258479
PNG
(US9493486, 1)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C22H21Cl2N5O3/c23-16-7-14(8-17(24)10-16)11-32-21(31)28-5-3-22(4-6-28)12-29(13-22)20(30)15-1-2-18-19(9-15)26-27-25-18/h1-2,7-10H,3-6,11-13H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258500
PNG
(US9493486, 1.22)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N3O6S/c24-23(25,26)35-18-5-1-16(2-6-18)13-34-21(31)28-11-9-22(10-12-28)14-29(15-22)20(30)17-3-7-19(8-4-17)36(27,32)33/h1-8H,9-15H2,(H2,27,32,33)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258588
PNG
(US9493486, 15A)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@H]2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C23H25F4N5O4/c24-17-10-16(36-23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)/t14-/m0/s1
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258542
PNG
(US9493486, 12.04)
Show SMILES Clc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H21Cl2N5O3/c23-16-3-1-15(17(24)10-16)11-32-21(31)28-7-5-22(6-8-28)12-29(13-22)20(30)14-2-4-18-19(9-14)26-27-25-18/h1-4,9-10H,5-8,11-13H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258514
PNG
(US9493486, 3.4)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC3(CC(C3)NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1
Show InChI InChI=1S/C21H19Cl2N3O6S/c22-13-3-12(4-14(23)5-13)9-31-20(28)26-10-21(11-26)7-15(8-21)25-33(29,30)16-1-2-17-18(6-16)32-19(27)24-17/h1-6,15,25H,7-11H2,(H,24,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258515
PNG
(US9493486, 3.5)
Show SMILES Clc1cc(Cl)cc(COC(=O)NC2CC3(C2)CN(C3)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C21H19Cl2N3O6S/c22-13-3-12(4-14(23)5-13)9-31-19(27)24-15-7-21(8-15)10-26(11-21)33(29,30)16-1-2-17-18(6-16)32-20(28)25-17/h1-6,15H,7-11H2,(H,24,27)(H,25,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258555
PNG
(US9493486, 12.17)
Show SMILES Clc1cc(Cl)c(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c(Cl)c1
Show InChI InChI=1S/C22H20Cl3N5O3/c23-14-8-16(24)15(17(25)9-14)10-33-21(32)29-5-3-22(4-6-29)11-30(12-22)20(31)13-1-2-18-19(7-13)27-28-26-18/h1-2,7-9H,3-6,10-12H2,(H,26,27,28)
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n/an/a 20.3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258569
PNG
(US9493486, 12.31)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C23H24ClN3O8S2/c1-36(30,31)18-9-15(8-16(24)10-18)12-34-22(29)26-6-4-23(5-7-26)13-27(14-23)37(32,33)17-2-3-19-20(11-17)35-21(28)25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258525
PNG
(US9493486, 6.4)
Show SMILES Clc1cc(Cl)cc(\C=C\C(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C24H21Cl2N3O4/c25-17-9-15(10-18(26)12-17)1-4-21(30)28-7-5-24(6-8-28)13-29(14-24)22(31)16-2-3-19-20(11-16)33-23(32)27-19/h1-4,9-12H,5-8,13-14H2,(H,27,32)/b4-1+
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258586
PNG
(US9493486, 14)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)NCc3c[nH]nn3)CC2)cc1
Show InChI InChI=1S/C20H23F3N6O4/c21-20(22,23)33-16-3-1-14(2-4-16)11-32-18(31)28-7-5-19(6-8-28)12-29(13-19)17(30)24-9-15-10-25-27-26-15/h1-4,10H,5-9,11-13H2,(H,24,30)(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258521
PNG
(US9493486, 6)
Show SMILES Clc1cc(Cl)cc(\C=C\C(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C23H21Cl2N5O2/c24-17-9-15(10-18(25)12-17)1-4-21(31)29-7-5-23(6-8-29)13-30(14-23)22(32)16-2-3-19-20(11-16)27-28-26-19/h1-4,9-12H,5-8,13-14H2,(H,26,27,28)/b4-1+
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258507
PNG
(US9493486, 2)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1
Show InChI InChI=1S/C22H19Cl2N3O5/c23-15-5-13(6-16(24)8-15)9-31-21(30)26-4-3-22(10-26)11-27(12-22)19(28)14-1-2-17-18(7-14)32-20(29)25-17/h1-2,5-8H,3-4,9-12H2,(H,25,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258520
PNG
(US9493486, 5.2)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1
Show InChI InChI=1S/C22H19Cl2N3O5/c23-14-3-12(4-15(24)6-14)9-31-21(30)27-10-22(11-27)7-16(8-22)25-19(28)13-1-2-17-18(5-13)32-20(29)26-17/h1-6,16H,7-11H2,(H,25,28)(H,26,29)
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n/an/a 26.5n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258491
PNG
(US9493486, 1.12)
Show SMILES Clc1cc(Cl)cc(COC(=O)NC2CC3(C2)CN(C3)C(=O)c2ccc3[nH]nnc3c2)c1
Show InChI InChI=1S/C21H19Cl2N5O3/c22-14-3-12(4-15(23)6-14)9-31-20(30)24-16-7-21(8-16)10-28(11-21)19(29)13-1-2-17-18(5-13)26-27-25-17/h1-6,16H,7-11H2,(H,24,30)(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258553
PNG
(US9493486, 12.15)
Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1
Show InChI InChI=1S/C23H22F3N5O3/c24-23(25,26)17-4-1-15(2-5-17)12-34-21(33)30-9-7-22(8-10-30)13-31(14-22)20(32)16-3-6-18-19(11-16)28-29-27-18/h1-6,11H,7-10,12-14H2,(H,27,28,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258508
PNG
(BDBM258518 | US9493486, 2.1)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C23H21Cl2N3O5/c24-16-7-14(8-17(25)10-16)11-32-22(31)27-5-3-23(4-6-27)12-28(13-23)20(29)15-1-2-18-19(9-15)33-21(30)26-18/h1-2,7-10H,3-6,11-13H2,(H,26,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258583
PNG
(US9493486, 12.45)
Show SMILES CS(=O)(=O)c1cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O8S2/c1-39(33,34)18-9-15(8-16(10-18)24(25,26)27)12-37-22(32)29-6-4-23(5-7-29)13-30(14-23)40(35,36)17-2-3-19-20(11-17)38-21(31)28-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,28,31)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258497
PNG
(US9493486, 1.19)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccc3[nH]nnc3c2)c1
Show InChI InChI=1S/C23H23Cl2N5O3/c24-17-9-15(10-18(25)12-17)13-33-22(32)30-8-5-23(14-30)3-6-29(7-4-23)21(31)16-1-2-19-20(11-16)27-28-26-19/h1-2,9-12H,3-8,13-14H2,(H,26,27,28)
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n/an/a 39.5n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258505
PNG
(US9493486, 1.27)
Show SMILES CC(C)c1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C25H32ClN5O3/c1-16(2)19-12-18(26)4-6-22(19)34-13-23(32)30-9-7-25(8-10-30)14-31(15-25)24(33)17-3-5-20-21(11-17)28-29-27-20/h4,6,12,16-17H,3,5,7-11,13-15H2,1-2H3,(H,27,28,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258587
PNG
(US9493486, 14.01)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)NCc2c[nH]nn2)CC1
Show InChI InChI=1S/C20H22F4N6O4/c21-16-7-15(34-20(22,23)24)2-1-13(16)10-33-18(32)29-5-3-19(4-6-29)11-30(12-19)17(31)25-8-14-9-26-28-27-14/h1-2,7,9H,3-6,8,10-12H2,(H,25,31)(H,26,27,28)
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n/an/a 41.5n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258532
PNG
(US9493486, 7)
Show SMILES Clc1cc(Cl)cc(c1)-c1nnc(o1)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C22H19Cl2N7O2/c23-15-7-14(8-16(24)10-15)19-27-28-21(33-19)30-5-3-22(4-6-30)11-31(12-22)20(32)13-1-2-17-18(9-13)26-29-25-17/h1-2,7-10H,3-6,11-12H2,(H,25,26,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258570
PNG
(US9493486, 12.32)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CC(C3)C(=O)NCc3cnn[nH]3)CC2)c1
Show InChI InChI=1S/C20H23Cl2N5O3/c21-15-5-13(6-16(22)7-15)12-30-19(29)27-3-1-20(2-4-27)8-14(9-20)18(28)23-10-17-11-24-26-25-17/h5-7,11,14H,1-4,8-10,12H2,(H,23,28)(H,24,25,26)
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n/an/a 44n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258540
PNG
(US9493486, 12.02)
Show SMILES Clc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1Cl
Show InChI InChI=1S/C22H21Cl2N5O3/c23-16-3-1-14(9-17(16)24)11-32-21(31)28-7-5-22(6-8-28)12-29(13-22)20(30)15-2-4-18-19(10-15)26-27-25-18/h1-4,9-10H,5-8,11-13H2,(H,25,26,27)
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n/an/a 44n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258488
PNG
(US9493486, 1.09)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C23H24ClN5O5S/c1-35(32,33)18-9-15(8-17(24)11-18)12-34-22(31)28-6-4-23(5-7-28)13-29(14-23)21(30)16-2-3-19-20(10-16)26-27-25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,26,27)
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n/an/a 50.5n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258564
PNG
(US9493486, 12.26)
Show SMILES CS(=O)(=O)c1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N3O7S/c1-39(35,36)18-9-15(8-17(11-18)25(26,27)28)12-37-23(34)30-6-4-24(5-7-30)13-31(14-24)21(32)16-2-3-19-20(10-16)38-22(33)29-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,29,33)
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n/an/a 53n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258556
PNG
(US9493486, 12.18)
Show SMILES FC(F)(F)Oc1cc(Cl)cc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)c1
Show InChI InChI=1S/C22H19ClF3N5O4/c23-14-3-12(4-16(6-14)35-22(24,25)26)9-34-20(33)31-10-21(11-31)7-15(8-21)27-19(32)13-1-2-17-18(5-13)29-30-28-17/h1-6,15H,7-11H2,(H,27,32)(H,28,29,30)
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n/an/a 53.5n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258513
PNG
(US9493486, 3.3)
Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CC3(CC(C3)NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1
Show InChI InChI=1S/C22H21Cl2N3O5S/c23-14-5-13(6-15(24)7-14)1-4-20(28)27-11-22(12-27)9-16(10-22)26-33(30,31)17-2-3-18-19(8-17)32-21(29)25-18/h2-3,5-8,16,26H,1,4,9-12H2,(H,25,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258519
PNG
(US9493486, 5.1)
Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C24H23Cl2N3O4/c25-17-9-15(10-18(26)12-17)1-4-21(30)28-7-5-24(6-8-28)13-29(14-24)22(31)16-2-3-19-20(11-16)33-23(32)27-19/h2-3,9-12H,1,4-8,13-14H2,(H,27,32)
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n/an/a 61n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258494
PNG
(US9493486, 1.15)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)c2ccc3[nH]nnc3c2)c1
Show InChI InChI=1S/C22H21Cl2N5O3/c23-16-7-14(8-17(24)10-16)11-32-21(31)29-12-22(13-29)3-5-28(6-4-22)20(30)15-1-2-18-19(9-15)26-27-25-18/h1-2,7-10H,3-6,11-13H2,(H,25,26,27)
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n/an/a 64.5n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258516
PNG
(US9493486, 3.6)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)c1
Show InChI InChI=1S/C23H24ClN3O7S3/c1-36(30,31)18-9-15(8-16(24)10-18)12-34-22(29)26-6-4-23(5-7-26)13-27(14-23)37(32,33)17-2-3-19-20(11-17)35-21(28)25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258567
PNG
(US9493486, 12.29)
Show SMILES Clc1cc(Cl)cc(COC(=O)NC2CC3(C2)CC(C3)C(=O)Nc2ccc3[nH]nnc3c2)c1
Show InChI InChI=1S/C22H21Cl2N5O3/c23-14-3-12(4-15(24)5-14)11-32-21(31)26-17-9-22(10-17)7-13(8-22)20(30)25-16-1-2-18-19(6-16)28-29-27-18/h1-6,13,17H,7-11H2,(H,25,30)(H,26,31)(H,27,28,29)
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n/an/a 68.5n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258493
PNG
(US9493486, 1.14)
Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)C2)c1
Show InChI InChI=1S/C22H21Cl2N5O2/c23-16-7-14(8-17(24)10-16)1-4-20(30)28-6-5-22(11-28)12-29(13-22)21(31)15-2-3-18-19(9-15)26-27-25-18/h2-3,7-10H,1,4-6,11-13H2,(H,25,26,27)
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n/an/a 73.7n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258503
PNG
(US9493486, 1.25)
Show SMILES CC(C)c1cc(ccc1OCC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1)C#N
Show InChI InChI=1S/C26H32N6O3/c1-17(2)20-11-18(13-27)3-6-23(20)35-14-24(33)31-9-7-26(8-10-31)15-32(16-26)25(34)19-4-5-21-22(12-19)29-30-28-21/h3,6,11,17,19H,4-5,7-10,12,14-16H2,1-2H3,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258529
PNG
(US9493486, 6.8)
Show SMILES FC(F)(F)Oc1ccc(\C=C\C(=O)N2CCC3(CC(C3)C(=O)NCc3cnn[nH]3)CC2)cc1
Show InChI InChI=1S/C22H24F3N5O3/c23-22(24,25)33-18-4-1-15(2-5-18)3-6-19(31)30-9-7-21(8-10-30)11-16(12-21)20(32)26-13-17-14-27-29-28-17/h1-6,14,16H,7-13H2,(H,26,32)(H,27,28,29)/b6-3+
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n/an/a 91n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258563
PNG
(US9493486, 12.25)
Show SMILES CS(=O)(=O)c1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5O5S/c1-38(35,36)18-9-15(8-17(11-18)24(25,26)27)12-37-22(34)31-6-4-23(5-7-31)13-32(14-23)21(33)16-2-3-19-20(10-16)29-30-28-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,28,29,30)
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n/an/a 92n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258589
PNG
(US9493486, 16A)
Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@H]2CCc3[nH]nnc3C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N5O3/c24-17-10-16(23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)/t14-/m0/s1
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258485
PNG
(US9493486, 1.06)
Show SMILES Nc1ccc(cc1O)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H23Cl2N3O4/c23-16-7-14(8-17(24)10-16)11-31-21(30)26-5-3-22(4-6-26)12-27(13-22)20(29)15-1-2-18(25)19(28)9-15/h1-2,7-10,28H,3-6,11-13,25H2
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258506
PNG
(US9493486, 1.28)
Show SMILES FC(F)(F)Oc1ccc(CCC(=O)N2CCC3(CN(C3)C(=O)C3CCc4[nH]nnc4C3)CC2)cc1
Show InChI InChI=1S/C24H28F3N5O3/c25-24(26,27)35-18-5-1-16(2-6-18)3-8-21(33)31-11-9-23(10-12-31)14-32(15-23)22(34)17-4-7-19-20(13-17)29-30-28-19/h1-2,5-6,17H,3-4,7-15H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258483
PNG
(US9493486, 1.04)
Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C23H23Cl2N5O2/c24-17-9-15(10-18(25)12-17)1-4-21(31)29-7-5-23(6-8-29)13-30(14-23)22(32)16-2-3-19-20(11-16)27-28-26-19/h2-3,9-12H,1,4-8,13-14H2,(H,26,27,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258498
PNG
(US9493486, 1.20)
Show SMILES Fc1cc(COC(=O)N2CCC3(C2)CCCN(C3)C(=O)c2ccc3[nH]nnc3c2)cc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H23F4N5O4/c25-17-8-15(9-18(11-17)37-24(26,27)28)12-36-22(35)33-7-5-23(14-33)4-1-6-32(13-23)21(34)16-2-3-19-20(10-16)30-31-29-19/h2-3,8-11H,1,4-7,12-14H2,(H,29,30,31)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258530
PNG
(US9493486, 6.9)
Show SMILES Clc1ccc(cc1)C#CC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C23H20ClN5O2/c24-18-5-1-16(2-6-18)3-8-21(30)28-11-9-23(10-12-28)14-29(15-23)22(31)17-4-7-19-20(13-17)26-27-25-19/h1-2,4-7,13H,9-12,14-15H2,(H,25,26,27)
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n/an/a 128n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258481
PNG
(US9493486, 1.02)
Show SMILES Clc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1
Show InChI InChI=1S/C22H22ClN5O3/c23-17-4-1-15(2-5-17)12-31-21(30)27-9-7-22(8-10-27)13-28(14-22)20(29)16-3-6-18-19(11-16)25-26-24-18/h1-6,11H,7-10,12-14H2,(H,24,25,26)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258538
PNG
(US9493486, 12)
Show SMILES Fc1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)ccc1Cl
Show InChI InChI=1S/C22H21ClFN5O3/c23-16-3-1-14(9-17(16)24)11-32-21(31)28-7-5-22(6-8-28)12-29(13-22)20(30)15-2-4-18-19(10-15)26-27-25-18/h1-4,9-10H,5-8,11-13H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258566
PNG
(US9493486, 12.28)
Show SMILES CS(=O)(=O)c1ccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H24ClN5O5S/c1-35(32,33)17-4-2-16(18(24)11-17)12-34-22(31)28-8-6-23(7-9-28)13-29(14-23)21(30)15-3-5-19-20(10-15)26-27-25-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258565
PNG
(US9493486, 12.27)
Show SMILES CS(=O)(=O)c1cc(Cl)ccc1COC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C23H24ClN5O5S/c1-35(32,33)20-11-17(24)4-2-16(20)12-34-22(31)28-8-6-23(7-9-28)13-29(14-23)21(30)15-3-5-18-19(10-15)26-27-25-18/h2-5,10-11H,6-9,12-14H2,1H3,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258539
PNG
(US9493486, 12.01)
Show SMILES Clc1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc(Cl)n1
Show InChI InChI=1S/C21H20Cl2N6O3/c22-17-7-13(8-18(23)24-17)10-32-20(31)28-5-3-21(4-6-28)11-29(12-21)19(30)14-1-2-15-16(9-14)26-27-25-15/h1-2,7-9H,3-6,10-12H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258490
PNG
(US9493486, 1.11)
Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)c1
Show InChI InChI=1S/C22H21Cl2N5O2/c23-15-5-13(6-16(24)8-15)1-4-20(30)29-11-22(12-29)9-17(10-22)25-21(31)14-2-3-18-19(7-14)27-28-26-18/h2-3,5-8,17H,1,4,9-12H2,(H,25,31)(H,26,27,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258549
PNG
(US9493486, 12.11)
Show SMILES Fc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1Cl
Show InChI InChI=1S/C22H21ClFN5O3/c23-16-9-14(1-3-17(16)24)11-32-21(31)28-7-5-22(6-8-28)12-29(13-22)20(30)15-2-4-18-19(10-15)26-27-25-18/h1-4,9-10H,5-8,11-13H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258534
PNG
(US9493486, 8)
Show SMILES Clc1ccc(cc1)-c1nnc(s1)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C22H20ClN7OS/c23-16-4-1-14(2-5-16)19-26-27-21(32-19)29-9-7-22(8-10-29)12-30(13-22)20(31)15-3-6-17-18(11-15)25-28-24-17/h1-6,11H,7-10,12-13H2,(H,24,25,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258482
PNG
(US9493486, 1.03)
Show SMILES Clc1cccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C22H22ClN5O3/c23-17-3-1-2-15(10-17)12-31-21(30)27-8-6-22(7-9-27)13-28(14-22)20(29)16-4-5-18-19(11-16)25-26-24-18/h1-5,10-11H,6-9,12-14H2,(H,24,25,26)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258562
PNG
(US9493486, 12.24)
Show SMILES Cc1ccc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)cc1Cl
Show InChI InChI=1S/C22H22ClN5O3/c1-13-2-3-14(6-17(13)23)10-31-21(30)28-11-22(12-28)8-16(9-22)24-20(29)15-4-5-18-19(7-15)26-27-25-18/h2-7,16H,8-12H2,1H3,(H,24,29)(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258533
PNG
(US9493486, 7.1)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C22H20ClN7O2/c23-16-4-1-14(2-5-16)19-26-27-21(32-19)29-9-7-22(8-10-29)12-30(13-22)20(31)15-3-6-17-18(11-15)25-28-24-17/h1-6,11H,7-10,12-13H2,(H,24,25,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258552
PNG
(US9493486, 12.14)
Show SMILES Brc1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cs1
Show InChI InChI=1S/C20H20BrN5O3S/c21-17-7-13(10-30-17)9-29-19(28)25-5-3-20(4-6-25)11-26(12-20)18(27)14-1-2-15-16(8-14)23-24-22-15/h1-2,7-8,10H,3-6,9,11-12H2,(H,22,23,24)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258548
PNG
(US9493486, 12.10)
Show SMILES Clc1cc(Cl)nc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C21H20Cl2N6O3/c22-14-8-15(24-18(23)9-14)10-32-20(31)28-5-3-21(4-6-28)11-29(12-21)19(30)13-1-2-16-17(7-13)26-27-25-16/h1-2,7-9H,3-6,10-12H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258512
PNG
(US9493486, 3.2)
Show SMILES O=C(OCc1ccccc1)N1CC2(CC(C2)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1
Show InChI InChI=1S/C21H21N3O6S/c25-19-22-17-7-6-16(8-18(17)30-19)31(27,28)23-15-9-21(10-15)12-24(13-21)20(26)29-11-14-4-2-1-3-5-14/h1-8,15,23H,9-13H2,(H,22,25)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258523
PNG
(US9493486, 6.2)
Show SMILES Clc1cc(Cl)cc(OCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C22H21Cl2N5O3/c23-15-8-16(24)10-17(9-15)32-11-20(30)28-5-3-22(4-6-28)12-29(13-22)21(31)14-1-2-18-19(7-14)26-27-25-18/h1-2,7-10H,3-6,11-13H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258550
PNG
(US9493486, 12.12)
Show SMILES Clc1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cs1
Show InChI InChI=1S/C20H20ClN5O3S/c21-17-7-13(10-30-17)9-29-19(28)25-5-3-20(4-6-25)11-26(12-20)18(27)14-1-2-15-16(8-14)23-24-22-15/h1-2,7-8,10H,3-6,9,11-12H2,(H,22,23,24)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258522
PNG
(US9493486, 6.1)
Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CCC3(CC(C3)Nc3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C24H25Cl2N3O3/c25-16-9-15(10-17(26)11-16)1-4-22(30)29-7-5-24(6-8-29)13-19(14-24)27-18-2-3-20-21(12-18)32-23(31)28-20/h2-3,9-12,19,27H,1,4-8,13-14H2,(H,28,31)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258545
PNG
(US9493486, 12.07)
Show SMILES CC(OC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H23Cl2N5O3/c1-14(16-8-17(24)11-18(25)9-16)33-22(32)29-6-4-23(5-7-29)12-30(13-23)21(31)15-2-3-19-20(10-15)27-28-26-19/h2-3,8-11,14H,4-7,12-13H2,1H3,(H,26,27,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258560
PNG
(US9493486, 12.22)
Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1
Show InChI InChI=1S/C24H22F3N3O5/c25-24(26,27)17-4-1-15(2-5-17)12-34-22(33)29-9-7-23(8-10-29)13-30(14-23)20(31)16-3-6-18-19(11-16)35-21(32)28-18/h1-6,11H,7-10,12-14H2,(H,28,32)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258554
PNG
(US9493486, 12.16)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CCN(C3)C(=O)c3ccc4[nH]nnc4c3)C2)c1
Show InChI InChI=1S/C22H21Cl2N5O3/c23-16-7-14(8-17(24)10-16)11-32-21(31)29-6-4-22(13-29)3-5-28(12-22)20(30)15-1-2-18-19(9-15)26-27-25-18/h1-2,7-10H,3-6,11-13H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258517
PNG
(US9493486, 4)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(Cc4ccc5[nH]c(=O)oc5c4)C3)CC2)c1
Show InChI InChI=1S/C23H23Cl2N3O4/c24-17-7-16(8-18(25)10-17)12-31-22(30)28-5-3-23(4-6-28)13-27(14-23)11-15-1-2-19-20(9-15)32-21(29)26-19/h1-2,7-10H,3-6,11-14H2,(H,26,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258527
PNG
(US9493486, 6.6)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCC2(CCN(C2)C(=O)c2ccc3[nH]nnc3c2)C1
Show InChI InChI=1S/C23H21ClN6O2/c24-16-2-4-17-15(9-16)11-20(25-17)22(32)30-8-6-23(13-30)5-7-29(12-23)21(31)14-1-3-18-19(10-14)27-28-26-18/h1-4,9-11,25H,5-8,12-13H2,(H,26,27,28)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258541
PNG
(US9493486, 12.03)
Show SMILES Clc1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cnc1Cl
Show InChI InChI=1S/C21H20Cl2N6O3/c22-15-7-13(9-24-18(15)23)10-32-20(31)28-5-3-21(4-6-28)11-29(12-21)19(30)14-1-2-16-17(8-14)26-27-25-16/h1-2,7-9H,3-6,10-12H2,(H,25,26,27)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258496
PNG
(US9493486, 1.18)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3cccc(c3)S(N)(=O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O7S2/c1-35(30,31)20-10-16(9-18(24)12-20)13-34-22(29)26-7-5-23(6-8-26)14-27(15-23)21(28)17-3-2-4-19(11-17)36(25,32)33/h2-4,9-12H,5-8,13-15H2,1H3,(H2,25,32,33)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258495
PNG
(US9493486, 1.17)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc(cc3)S(N)(=O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O7S2/c1-35(30,31)20-11-16(10-18(24)12-20)13-34-22(29)26-8-6-23(7-9-26)14-27(15-23)21(28)17-2-4-19(5-3-17)36(25,32)33/h2-5,10-12H,6-9,13-15H2,1H3,(H2,25,32,33)
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n/an/a 729n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258499
PNG
(US9493486, 1.21)
Show SMILES Clc1cccc(CCS(=O)(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C22H24ClN5O3S/c23-18-3-1-2-16(12-18)6-11-32(30,31)28-9-7-22(8-10-28)14-27(15-22)21(29)17-4-5-19-20(13-17)25-26-24-19/h1-5,12-13H,6-11,14-15H2,(H,24,25,26)
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n/an/a 821n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258531
PNG
(US9493486, 6.10)
Show SMILES Clc1cccc(c1)C#CC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C23H20ClN5O2/c24-18-3-1-2-16(12-18)4-7-21(30)28-10-8-23(9-11-28)14-29(15-23)22(31)17-5-6-19-20(13-17)26-27-25-19/h1-3,5-6,12-13H,8-11,14-15H2,(H,25,26,27)
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n/an/a 826n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258484
PNG
(US9493486, 1.05)
Show SMILES Nc1ccc(cc1O)C(=O)N1CC2(C1)CCN(CC2)C(=O)CCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H25Cl2N3O3/c24-17-9-15(10-18(25)12-17)1-4-21(30)27-7-5-23(6-8-27)13-28(14-23)22(31)16-2-3-19(26)20(29)11-16/h2-3,9-12,29H,1,4-8,13-14,26H2
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n/an/a 1.04E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258535
PNG
(US9493486, 9)
Show SMILES Clc1cc(Cl)cc(CNC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C22H22Cl2N6O2/c23-16-7-14(8-17(24)10-16)11-25-21(32)29-5-3-22(4-6-29)12-30(13-22)20(31)15-1-2-18-19(9-15)27-28-26-18/h1-2,7-10H,3-6,11-13H2,(H,25,32)(H,26,27,28)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258559
PNG
(US9493486, 12.21)
Show SMILES Fc1ccc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)cc1Cl
Show InChI InChI=1S/C21H19ClFN5O3/c22-15-5-12(1-3-16(15)23)9-31-20(30)28-10-21(11-28)7-14(8-21)24-19(29)13-2-4-17-18(6-13)26-27-25-17/h1-6,14H,7-11H2,(H,24,29)(H,25,26,27)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258537
PNG
(US9493486, 11)
Show SMILES O=C(OCc1ccccc1)N1CCC2(CC(C2)Nc2ccc3[nH]c(=O)oc3c2)CC1
Show InChI InChI=1S/C23H25N3O4/c27-21-25-19-7-6-17(12-20(19)30-21)24-18-13-23(14-18)8-10-26(11-9-23)22(28)29-15-16-4-2-1-3-5-16/h1-7,12,18,24H,8-11,13-15H2,(H,25,27)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258568
PNG
(US9493486, 12.30)
Show SMILES Fc1cc(COC(=O)N2CCCC3(CCN(C3)C(=O)c3ccc4[nH]nnc4c3)C2)cc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H23F4N5O4/c25-17-8-15(9-18(11-17)37-24(26,27)28)12-36-22(35)33-6-1-4-23(14-33)5-7-32(13-23)21(34)16-2-3-19-20(10-16)30-31-29-19/h2-3,8-11H,1,4-7,12-14H2,(H,29,30,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258547
PNG
(US9493486, 12.09)
Show SMILES Brc1cncc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C21H21BrN6O3/c22-16-7-14(9-23-10-16)11-31-20(30)27-5-3-21(4-6-27)12-28(13-21)19(29)15-1-2-17-18(8-15)25-26-24-17/h1-2,7-10H,3-6,11-13H2,(H,24,25,26)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258561
PNG
(US9493486, 12.23)
Show SMILES Fc1cc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F4N5O3/c23-15-4-12(3-14(6-15)22(24,25)26)9-34-20(33)31-10-21(11-31)7-16(8-21)27-19(32)13-1-2-17-18(5-13)29-30-28-17/h1-6,16H,7-11H2,(H,27,32)(H,28,29,30)
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n/an/a 1.91E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258557
PNG
(US9493486, 12.19)
Show SMILES FC(F)(F)c1cccc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)c1
Show InChI InChI=1S/C22H20F3N5O3/c23-22(24,25)15-3-1-2-13(6-15)10-33-20(32)30-11-21(12-30)8-16(9-21)26-19(31)14-4-5-17-18(7-14)28-29-27-17/h1-7,16H,8-12H2,(H,26,31)(H,27,28,29)
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n/an/a 2.15E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258480
PNG
(US9493486, 1.01)
Show SMILES O=C(OCc1ccccc1)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C22H23N5O3/c28-20(17-6-7-18-19(12-17)24-25-23-18)27-14-22(15-27)8-10-26(11-9-22)21(29)30-13-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,23,24,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258524
PNG
(US9493486, 6.3)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C21H19Cl2N5O2/c22-15-7-14(8-16(23)10-15)20(30)27-5-3-21(4-6-27)11-28(12-21)19(29)13-1-2-17-18(9-13)25-26-24-17/h1-2,7-10H,3-6,11-12H2,(H,24,25,26)
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n/an/a 2.66E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258526
PNG
(US9493486, 6.5)
Show SMILES Fc1cc(F)cc(c1)[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C24H23F2N5O2/c25-16-7-15(8-17(26)10-16)18-11-19(18)23(33)30-5-3-24(4-6-30)12-31(13-24)22(32)14-1-2-20-21(9-14)28-29-27-20/h1-2,7-10,18-19H,3-6,11-13H2,(H,27,28,29)/t18-,19+/m0/s1
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n/an/a 3.22E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258487
PNG
(US9493486, 1.08)
Show SMILES O=C(CCCc1ccccc1)N1CC2(CC(C2)NC(=O)c2ccc3[nH]nnc3c2)C1
Show InChI InChI=1S/C23H25N5O2/c29-21(8-4-7-16-5-2-1-3-6-16)28-14-23(15-28)12-18(13-23)24-22(30)17-9-10-19-20(11-17)26-27-25-19/h1-3,5-6,9-11,18H,4,7-8,12-15H2,(H,24,30)(H,25,26,27)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258536
PNG
(US9493486, 10)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C23H23ClN6O2/c24-18-3-1-16-11-29(12-17(16)9-18)22(32)28-7-5-23(6-8-28)13-30(14-23)21(31)15-2-4-19-20(10-15)26-27-25-19/h1-4,9-10H,5-8,11-14H2,(H,25,26,27)
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n/an/a 3.44E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258551
PNG
(US9493486, 12.13)
Show SMILES O=C(OCc1ccsc1)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1
Show InChI InChI=1S/C20H21N5O3S/c26-18(15-1-2-16-17(9-15)22-23-21-16)25-12-20(13-25)4-6-24(7-5-20)19(27)28-10-14-3-8-29-11-14/h1-3,8-9,11H,4-7,10,12-13H2,(H,21,22,23)
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n/an/a 3.52E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258511
PNG
(US9493486, 3.1)
Show SMILES O=C(CCCc1ccccc1)N1CC2(CC(C2)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1
Show InChI InChI=1S/C23H25N3O5S/c27-21(8-4-7-16-5-2-1-3-6-16)26-14-23(15-26)12-17(13-23)25-32(29,30)18-9-10-19-20(11-18)31-22(28)24-19/h1-3,5-6,9-11,17,25H,4,7-8,12-15H2,(H,24,28)
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n/an/a 3.57E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258489
PNG
(US9493486, 1.10)
Show SMILES O=C(NC1CC2(C1)CN(C2)C(=O)c1ccc2[nH]nnc2c1)OCc1ccccc1
Show InChI InChI=1S/C21H21N5O3/c27-19(15-6-7-17-18(8-15)24-25-23-17)26-12-21(13-26)9-16(10-21)22-20(28)29-11-14-4-2-1-3-5-14/h1-8,16H,9-13H2,(H,22,28)(H,23,24,25)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258546
PNG
(US9493486, 12.08)
Show SMILES Clc1cncc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1
Show InChI InChI=1S/C21H21ClN6O3/c22-16-7-14(9-23-10-16)11-31-20(30)27-5-3-21(4-6-27)12-28(13-21)19(29)15-1-2-17-18(8-15)25-26-24-17/h1-2,7-10H,3-6,11-13H2,(H,24,25,26)
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n/an/a 3.83E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258528
PNG
(US9493486, 6.7)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)N1CCC2(CCN(C2)C(=O)c2ccc3[nH]nnc3c2)C1
Show InChI InChI=1S/C23H20ClN5O3/c24-16-2-4-19-15(9-16)11-20(32-19)22(31)29-8-6-23(13-29)5-7-28(12-23)21(30)14-1-3-17-18(10-14)26-27-25-17/h1-4,9-11H,5-8,12-13H2,(H,25,26,27)
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n/an/a 3.93E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258486
PNG
(US9493486, 1.07)
Show SMILES O=C(OCc1ccccc1)N1CC2(CC(C2)NC(=O)c2ccc3[nH]nnc3c2)C1
Show InChI InChI=1S/C21H21N5O3/c27-19(15-6-7-17-18(8-15)24-25-23-17)22-16-9-21(10-16)12-26(13-21)20(28)29-11-14-4-2-1-3-5-14/h1-8,16H,9-13H2,(H,22,27)(H,23,24,25)
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n/an/a 4.14E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258543
PNG
(US9493486, 12.05)
Show SMILES Clc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cn1
Show InChI InChI=1S/C21H21ClN6O3/c22-18-4-1-14(10-23-18)11-31-20(30)27-7-5-21(6-8-27)12-28(13-21)19(29)15-2-3-16-17(9-15)25-26-24-16/h1-4,9-10H,5-8,11-13H2,(H,24,25,26)
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 4.98E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258492
PNG
(US9493486, 1.13)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)c1
Show InChI InChI=1S/C21H19Cl2N5O3/c22-14-3-12(4-15(23)6-14)9-31-20(30)28-10-21(11-28)7-16(8-21)24-19(29)13-1-2-17-18(5-13)26-27-25-17/h1-6,16H,7-11H2,(H,24,29)(H,25,26,27)
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n/an/a 5.43E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258558
PNG
(US9493486, 12.20)
Show SMILES Clc1cc(COC(=O)N2CC3(CC(C3)NC(=O)c3ccc4[nH]nnc4c3)C2)cc(c1)C#N
Show InChI InChI=1S/C22H19ClN6O3/c23-16-4-13(9-24)3-14(5-16)10-32-21(31)29-11-22(12-29)7-17(8-22)25-20(30)15-1-2-18-19(6-15)27-28-26-18/h1-6,17H,7-8,10-12H2,(H,25,30)(H,26,27,28)
PDB

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n/an/a 5.64E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258544
PNG
(US9493486, 12.06)
Show SMILES CS(=O)(=O)c1cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)ccc1Cl
Show InChI InChI=1S/C23H24ClN5O5S/c1-35(32,33)20-10-15(2-4-17(20)24)12-34-22(31)28-8-6-23(7-9-28)13-29(14-23)21(30)16-3-5-18-19(11-16)26-27-25-18/h2-5,10-11H,6-9,12-14H2,1H3,(H,25,26,27)
PDB

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n/an/a 7.24E+3n/an/an/an/an/an/a



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


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