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Patent code US9796719

Compile Data Set for Download or QSAR

Found 321 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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354484
PNG
(1-(1-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(C1)N1CCC(O)CC1
Show InChI InChI=1S/C27H32FN7OS/c1-3-22-26(32(2)27-30-23(17-37-27)18-4-6-19(28)7-5-18)35-24(29-22)8-9-25(31-35)34-13-10-20(16-34)33-14-11-21(36)12-15-33/h4-9,17,20-21,36H,3,10-16H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354530
PNG
(3-(3-((4-(4- fluorophenyl)-5- (2,2,2- trifluoroace...)
Show SMILES CN(c1nc(c(s1)C(=O)C(F)(F)F)-c1ccc(F)cc1)c1c(CCC#N)nc2ccc(nn12)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H25F4N7O3S2/c1-36(26-34-22(17-5-7-18(28)8-6-17)23(42-26)24(39)27(29,30)31)25-20(4-3-13-32)33-21-10-9-19(35-38(21)25)16-11-14-37(15-12-16)43(2,40)41/h5-10,16H,3-4,11-12,14-15H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354547
PNG
(2-(4-(2-ethyl-3-((2- (4- fluorophenyl) pyrimidin-4...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1ccnc(n1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C29H33FN8O2/c1-3-23-29(35(2)25-10-13-31-28(33-25)20-4-6-21(30)7-5-20)38-26(32-23)9-8-24(34-38)19-11-14-36(15-12-19)18-27(40)37-16-22(39)17-37/h4-10,13,19,22,39H,3,11-12,14-18H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354500
PNG
(US9796719, Compound 168 | methyl (1-(3-((5- cyano-...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCC(O)(CNC(=O)OC)C1
Show InChI InChI=1S/C26H27FN8O3S/c1-4-18-23(33(2)24-31-22(19(13-28)39-24)16-5-7-17(27)8-6-16)35-20(30-18)9-10-21(32-35)34-12-11-26(37,15-34)14-29-25(36)38-3/h5-10,37H,4,11-12,14-15H2,1-3H3,(H,29,36)
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354337
PNG
(2-((6-(4-(2- (azetidin-1-yl)-2- oxoethyl)piperazin...)
Show SMILES CCc1nc2cnc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC2)CC1
Show InChI InChI=1S/C28H30FN9OS/c1-3-21-27(34(2)28-33-26(22(15-30)40-28)19-5-7-20(29)8-6-19)38-17-24(31-16-23(38)32-21)36-13-11-35(12-14-36)18-25(39)37-9-4-10-37/h5-8,16-17H,3-4,9-14,18H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354366
PNG
((S)-2-(4-(2-ethyl-3- ((4-(4- fluorophenyl) thiazol...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@H](O)C2)CC1
Show InChI InChI=1S/C28H33FN8O2S/c1-3-22-27(33(2)28-31-23(18-40-28)19-4-6-20(29)7-5-19)37-24(30-22)8-9-25(32-37)35-14-12-34(13-15-35)17-26(39)36-11-10-21(38)16-36/h4-9,18,21,38H,3,10-17H2,1-2H3/t21-/m0/s1
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354378
PNG
(1-(2-(4-(2-ethyl-3- ((4-(4- fluorophenyl) thiazol-...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCN2CCCC2=O)CC1
Show InChI InChI=1S/C28H33FN8OS/c1-3-22-27(33(2)28-31-23(19-39-28)20-6-8-21(29)9-7-20)37-24(30-22)10-11-25(32-37)35-16-13-34(14-17-35)15-18-36-12-4-5-26(36)38/h6-11,19H,3-5,12-18H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354380
PNG
(N-(2-ethyl-6-(4- ((tetrahydrofuran-2- yl)methyl)pi...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC2CCCO2)CC1
Show InChI InChI=1S/C27H32FN7OS/c1-3-22-26(32(2)27-30-23(18-37-27)19-6-8-20(28)9-7-19)35-24(29-22)10-11-25(31-35)34-14-12-33(13-15-34)17-21-5-4-16-36-21/h6-11,18,21H,3-5,12-17H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354386
PNG
(2-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)NC(C)C)CC1
Show InChI InChI=1S/C27H33FN8OS/c1-5-21-26(33(4)27-31-22(17-38-27)19-6-8-20(28)9-7-19)36-23(30-21)10-11-24(32-36)35-14-12-34(13-15-35)16-25(37)29-18(2)3/h6-11,17-18H,5,12-16H2,1-4H3,(H,29,37)
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354396
PNG
((S)-2-(4-(2-ethyl-3- ((4-(4- fluorophenyl) thiazol...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2)[C@H](CO)C1
Show InChI InChI=1S/C29H35FN8O2S/c1-3-23-28(34(2)29-32-24(19-41-29)20-6-8-21(30)9-7-20)38-25(31-23)10-11-26(33-38)37-15-14-36(22(16-37)18-39)17-27(40)35-12-4-5-13-35/h6-11,19,22,39H,3-5,12-18H2,1-2H3/t22-/m0/s1
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354448
PNG
(N-(2-ethyl-6-(4- (methylsulfonyl)- 1,4-diazepan-1-...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H28FN7O2S2/c1-4-19-23(29(2)24-27-20(16-35-24)17-6-8-18(25)9-7-17)32-21(26-19)10-11-22(28-32)30-12-5-13-31(15-14-30)36(3,33)34/h6-11,16H,4-5,12-15H2,1-3H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354463
PNG
(N-(2-ethyl-6-(3- thiomorpholino- pyrrolidin-1- yl)...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(C1)N1CCSCC1
Show InChI InChI=1S/C26H30FN7S2/c1-3-21-25(31(2)26-29-22(17-36-26)18-4-6-19(27)7-5-18)34-23(28-21)8-9-24(30-34)33-11-10-20(16-33)32-12-14-35-15-13-32/h4-9,17,20H,3,10-16H2,1-2H3
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US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354474
PNG
((1-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- yl...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCCC1CO
Show InChI InChI=1S/C23H25FN6OS/c1-3-18-22(28(2)23-26-19(14-32-23)15-6-8-16(24)9-7-15)30-20(25-18)10-11-21(27-30)29-12-4-5-17(29)13-31/h6-11,14,17,31H,3-5,12-13H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354475
PNG
((1-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- yl...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(CO)C1
Show InChI InChI=1S/C23H25FN6OS/c1-3-18-22(28(2)23-26-19(14-32-23)16-4-6-17(24)7-5-16)30-20(25-18)8-9-21(27-30)29-11-10-15(12-29)13-31/h4-9,14-15,31H,3,10-13H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354479
PNG
(N-(2-ethyl-6-(3- morpholino- pyrrolidin-1- yl)imid...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(C1)N1CCOCC1
Show InChI InChI=1S/C26H30FN7OS/c1-3-21-25(31(2)26-29-22(17-36-26)18-4-6-19(27)7-5-18)34-23(28-21)8-9-24(30-34)33-11-10-20(16-33)32-12-14-35-15-13-32/h4-9,17,20H,3,10-16H2,1-2H3
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GALAPAGOS NV

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Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354525
PNG
(N-(2-ethyl-6-(1- (methylsulfonyl)- 1,2,3,6- tetrah...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1=CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H25FN6O2S2/c1-4-19-23(29(2)24-27-21(15-34-24)16-5-7-18(25)8-6-16)31-22(26-19)10-9-20(28-31)17-11-13-30(14-12-17)35(3,32)33/h5-11,15H,4,12-14H2,1-3H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354526
PNG
((3-((4-(4- fluorophenyl) thiazol-2- yl)(methyl)ami...)
Show SMILES CN(c1nc(cs1)-c1ccc(F)cc1)c1c(CO)nc2ccc(nn12)C1=CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H23FN6O3S2/c1-28(23-26-20(14-34-23)15-3-5-17(24)6-4-15)22-19(13-31)25-21-8-7-18(27-30(21)22)16-9-11-29(12-10-16)35(2,32)33/h3-9,14,31H,10-13H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354527
PNG
(2-(3-((4-(4- fluorophenyl) thiazol-2- yl)(methyl)a...)
Show SMILES CN(c1nc(cs1)-c1ccc(F)cc1)c1c(CC#N)nc2ccc(nn12)C1=CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H22FN7O2S2/c1-30(24-28-21(15-35-24)16-3-5-18(25)6-4-16)23-20(9-12-26)27-22-8-7-19(29-32(22)23)17-10-13-31(14-11-17)36(2,33)34/h3-8,10,15H,9,11,13-14H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354533
PNG
(2-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C27H32FN7OS/c1-5-21-26(33(4)27-30-23(17-37-27)18-6-8-20(28)9-7-18)35-24(29-21)11-10-22(31-35)19-12-14-34(15-13-19)16-25(36)32(2)3/h6-11,17,19H,5,12-16H2,1-4H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354507
PNG
((S)-2-(1-(3-((5- cyano-4-(4- fluorophenyl) thiazol...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CC[C@@H](C1)NCC(=O)N(C)C
Show InChI InChI=1S/C27H30FN9OS/c1-5-20-26(35(4)27-32-25(21(14-29)39-27)17-6-8-18(28)9-7-17)37-22(31-20)10-11-23(33-37)36-13-12-19(16-36)30-15-24(38)34(2)3/h6-11,19,30H,5,12-13,15-16H2,1-4H3/t19-/m0/s1
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354511
PNG
(2-((2-ethyl-6-(3-(4- (hydroxymethyl) piperidin-1- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCC(C1)N1CCC(CO)CC1
Show InChI InChI=1S/C29H33FN8OS/c1-3-23-28(35(2)29-33-27(24(16-31)40-29)20-4-6-21(30)7-5-20)38-25(32-23)8-9-26(34-38)37-15-12-22(17-37)36-13-10-19(18-39)11-14-36/h4-9,19,22,39H,3,10-15,17-18H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354512
PNG
(2-((6-(3-(4- acetoylpiperazin-1- yl)pyrrolidin-1-y...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCC(C1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H32FN9OS/c1-4-23-28(35(3)29-33-27(24(17-31)41-29)20-5-7-21(30)8-6-20)39-25(32-23)9-10-26(34-39)38-12-11-22(18-38)37-15-13-36(14-16-37)19(2)40/h5-10,22H,4,11-16,18H2,1-3H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354515
PNG
(2-((2-ethyl-6-(3-(4- methoxypiperidin- 1-yl)pyrrol...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCC(C1)N1CCC(CC1)OC
Show InChI InChI=1S/C29H33FN8OS/c1-4-23-28(35(2)29-33-27(24(17-31)40-29)19-5-7-20(30)8-6-19)38-25(32-23)9-10-26(34-38)37-14-11-21(18-37)36-15-12-22(39-3)13-16-36/h5-10,21-22H,4,11-16,18H2,1-3H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354521
PNG
(2-((2-ethyl-6-(3-(2- (3-hydroxyazetidin- 1-yl)-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CC(C1)NCC(=O)N1CC(O)C1
Show InChI InChI=1S/C27H28FN9O2S/c1-3-20-26(34(2)27-32-25(21(10-29)40-27)16-4-6-17(28)7-5-16)37-22(31-20)8-9-23(33-37)35-12-18(13-35)30-11-24(39)36-14-19(38)15-36/h4-9,18-19,30,38H,3,11-15H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354339
PNG
((R)-2-((2-ethyl-6- (4-(2-(3- hydroxypyrrolidin- 1-...)
Show SMILES CCc1nc2cnc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1
Show InChI InChI=1S/C29H32FN9O2S/c1-3-22-28(35(2)29-34-27(23(14-31)42-29)19-4-6-20(30)7-5-19)39-17-25(32-15-24(39)33-22)37-12-10-36(11-13-37)18-26(41)38-9-8-21(40)16-38/h4-7,15,17,21,40H,3,8-13,16,18H2,1-2H3/t21-/m1/s1
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354365
PNG
((R)-2-(4-(2-ethyl-3- ((4-(4- fluorophenyl) thiazol...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1
Show InChI InChI=1S/C28H33FN8O2S/c1-3-22-27(33(2)28-31-23(18-40-28)19-4-6-20(29)7-5-19)37-24(30-22)8-9-25(32-37)35-14-12-34(13-15-35)17-26(39)36-11-10-21(38)16-36/h4-9,18,21,38H,3,10-17H2,1-2H3/t21-/m1/s1
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354389
PNG
(N-(2-(4-(2-ethyl-3- ((4-(4- fluorophenyl) thiazol-...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCNC(C)=O)CC1
Show InChI InChI=1S/C26H31FN8OS/c1-4-21-25(32(3)26-30-22(17-37-26)19-5-7-20(27)8-6-19)35-23(29-21)9-10-24(31-35)34-15-13-33(14-16-34)12-11-28-18(2)36/h5-10,17H,4,11-16H2,1-3H3,(H,28,36)
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354395
PNG
((S)-(1-(3- (dimethylamino) propylsulfonyl)- 4-(2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN([C@H](CO)C1)S(=O)(=O)CCCN(C)C
Show InChI InChI=1S/C28H37FN8O3S2/c1-5-23-27(34(4)28-31-24(19-41-28)20-7-9-21(29)10-8-20)37-25(30-23)11-12-26(32-37)35-14-15-36(22(17-35)18-38)42(39,40)16-6-13-33(2)3/h7-12,19,22,38H,5-6,13-18H2,1-4H3/t22-/m0/s1
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354403
PNG
(N-(2-ethyl-6-(4- (ethylsulfonyl) piperazin-1- yl)i...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC1)S(=O)(=O)CC
Show InChI InChI=1S/C24H28FN7O2S2/c1-4-19-23(29(3)24-27-20(16-35-24)17-6-8-18(25)9-7-17)32-21(26-19)10-11-22(28-32)30-12-14-31(15-13-30)36(33,34)5-2/h6-11,16H,4-5,12-15H2,1-3H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354414
PNG
(N-(6-(4- aminopiperidin-1- yl)-2- ethylimidazo[1,2...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(N)CC1
Show InChI InChI=1S/C23H26FN7S/c1-3-18-22(29(2)23-27-19(14-32-23)15-4-6-16(24)7-5-15)31-20(26-18)8-9-21(28-31)30-12-10-17(25)11-13-30/h4-9,14,17H,3,10-13,25H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354426
PNG
((1-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- yl...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCCC(CO)C1
Show InChI InChI=1S/C24H27FN6OS/c1-3-19-23(29(2)24-27-20(15-33-24)17-6-8-18(25)9-7-17)31-21(26-19)10-11-22(28-31)30-12-4-5-16(13-30)14-32/h6-11,15-16,32H,3-5,12-14H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354427
PNG
(1-(2-Ethyl-3-{[4- (4-fluoro-phenyl)- thiazol-2-yl]...)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2n1
Show InChI InChI=1S/C26H29FN6O2S/c1-4-20-24(31(3)26-29-21(16-36-26)17-6-8-19(27)9-7-17)33-22(28-20)10-11-23(30-33)32-14-12-18(13-15-32)25(34)35-5-2/h6-11,16,18H,4-5,12-15H2,1-3H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354428
PNG
(1-(2-ethyl-3-((4-(4- fluorophenyl) thiazol-2- yl)(...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H25FN6O2S/c1-3-18-22(29(2)24-27-19(14-34-24)15-4-6-17(25)7-5-15)31-20(26-18)8-9-21(28-31)30-12-10-16(11-13-30)23(32)33/h4-9,14,16H,3,10-13H2,1-2H3,(H,32,33)
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354429
PNG
(1-(2-ethyl-3-((4-(4- fluorophenyl) thiazol-2- yl)(...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(CC1)C(=O)NCCO
Show InChI InChI=1S/C26H30FN7O2S/c1-3-20-25(32(2)26-30-21(16-37-26)17-4-6-19(27)7-5-17)34-22(29-20)8-9-23(31-34)33-13-10-18(11-14-33)24(36)28-12-15-35/h4-9,16,18,35H,3,10-15H2,1-2H3,(H,28,36)
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354431
PNG
(1-(2-ethyl-3-((4-(4- fluorophenyl) thiazol-2- yl)(...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C24H26FN7OS/c1-3-18-23(30(2)24-28-19(14-34-24)15-6-8-17(25)9-7-15)32-20(27-18)10-11-21(29-32)31-12-4-5-16(13-31)22(26)33/h6-11,14,16H,3-5,12-13H2,1-2H3,(H2,26,33)
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354461
PNG
(1-(2-ethyl-3-((4-(4- fluorophenyl) thiazol-2- yl)(...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(O)C1
Show InChI InChI=1S/C22H23FN6OS/c1-3-17-21(27(2)22-25-18(13-31-22)14-4-6-15(23)7-5-14)29-19(24-17)8-9-20(26-29)28-11-10-16(30)12-28/h4-9,13,16,30H,3,10-12H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354503
PNG
(2-((2-ethyl-6-(3- hydroxypyrrolidin- 1-yl)imidazo[...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCC(O)C1
Show InChI InChI=1S/C23H22FN7OS/c1-3-17-22(31-19(26-17)8-9-20(28-31)30-11-10-16(32)13-30)29(2)23-27-21(18(12-25)33-23)14-4-6-15(24)7-5-14/h4-9,16,32H,3,10-11,13H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354532
PNG
(2-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C28H32FN7O2S/c1-3-22-27(33(2)28-31-24(17-39-28)18-4-6-20(29)7-5-18)36-25(30-22)9-8-23(32-36)19-10-12-34(13-11-19)16-26(38)35-14-21(37)15-35/h4-9,17,19,21,37H,3,10-16H2,1-2H3
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GALAPAGOS NV

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Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354543
PNG
(2-((2-ethyl-6-(1-(2- (3-hydroxyazetidin- 1-yl)-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C29H31FN8O2S/c1-3-22-28(35(2)29-33-27(24(14-31)41-29)19-4-6-20(30)7-5-19)38-25(32-22)9-8-23(34-38)18-10-12-36(13-11-18)17-26(40)37-15-21(39)16-37/h4-9,18,21,39H,3,10-13,15-17H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354549
PNG
(6-((2-ethyl-6-(1-(2- (3-hydroxyazetidin- 1-yl)-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1ccc(C#N)c(n1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C31H33FN8O2/c1-3-25-31(37(2)27-10-6-22(16-33)30(35-27)21-4-7-23(32)8-5-21)40-28(34-25)11-9-26(36-40)20-12-14-38(15-13-20)19-29(42)39-17-24(41)18-39/h4-11,20,24,41H,3,12-15,17-19H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354376
PNG
(2-(4-(3-((5-cyano- 4-(4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C27H30FN9OS/c1-5-20-26(34(4)27-31-25(21(16-29)39-27)18-6-8-19(28)9-7-18)37-22(30-20)10-11-23(32-37)36-14-12-35(13-15-36)17-24(38)33(2)3/h6-11H,5,12-15,17H2,1-4H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354506
PNG
((S)-2-((2-ethyl-6- (3-(2-(3- hydroxyazetidin-1- yl...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CC[C@@H](C1)NCC(=O)N1CC(O)C1
Show InChI InChI=1S/C28H30FN9O2S/c1-3-21-27(35(2)28-33-26(22(12-30)41-28)17-4-6-18(29)7-5-17)38-23(32-21)8-9-24(34-38)36-11-10-19(14-36)31-13-25(40)37-15-20(39)16-37/h4-9,19-20,31,39H,3,10-11,13-16H2,1-2H3/t19-/m0/s1
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354513
PNG
(N-(1-(1-(3-((5- cyano-4-(4- fluorophenyl) thiazol-...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCC(C1)N1CCC(CC1)N(C)C(C)=O
Show InChI InChI=1S/C31H36FN9OS/c1-5-25-30(38(4)31-35-29(26(18-33)43-31)21-6-8-22(32)9-7-21)41-27(34-25)10-11-28(36-41)40-17-14-24(19-40)39-15-12-23(13-16-39)37(3)20(2)42/h6-11,23-24H,5,12-17,19H2,1-4H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)(Autotaxin)


(Homo sapiens (Human))
BDBM354514
PNG
(2-((2-ethyl-6-(3-(4- hydroxypiperidin- 1-yl)pyrrol...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCC(C1)N1CCC(O)CC1
Show InChI InChI=1S/C28H31FN8OS/c1-3-22-27(34(2)28-32-26(23(16-30)39-28)18-4-6-19(29)7-5-18)37-24(31-22)8-9-25(33-37)36-13-10-20(17-36)35-14-11-21(38)12-15-35/h4-9,20-21,38H,3,10-15,17H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotax...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354357
PNG
((S)-2-((2-ethyl-6- (1-(2-(3- hydroxypyrrolidin- 1-...)
Show SMILES CCc1nc2cnc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@H](O)C2)CC1
Show InChI InChI=1S/C30H33FN8O2S/c1-3-23-29(36(2)30-35-28(25(14-32)42-30)20-4-6-21(31)7-5-20)39-17-24(33-15-26(39)34-23)19-8-11-37(12-9-19)18-27(41)38-13-10-22(40)16-38/h4-7,15,17,19,22,40H,3,8-13,16,18H2,1-2H3/t22-/m0/s1
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354359
PNG
(2-((2-ethyl-6-(4-(2- (3-hydroxyazetidin- 1-yl)-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C28H30FN9O2S/c1-3-21-27(34(2)28-32-26(22(14-30)41-28)18-4-6-19(29)7-5-18)38-23(31-21)8-9-24(33-38)36-12-10-35(11-13-36)17-25(40)37-15-20(39)16-37/h4-9,20,39H,3,10-13,15-17H2,1-2H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354374
PNG
(2-(4-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C26H31FN8OS/c1-5-20-25(32(4)26-29-21(17-37-26)18-6-8-19(27)9-7-18)35-22(28-20)10-11-23(30-35)34-14-12-33(13-15-34)16-24(36)31(2)3/h6-11,17H,5,12-16H2,1-4H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354375
PNG
(2-(4-(2-ethyl-3-((4- (4-fluorophenyl)-5- (hydroxym...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(c(CO)s1)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C27H33FN8O2S/c1-5-20-26(33(4)27-30-25(21(17-37)39-27)18-6-8-19(28)9-7-18)36-22(29-20)10-11-23(31-36)35-14-12-34(13-15-35)16-24(38)32(2)3/h6-11,37H,5,12-17H2,1-4H3
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GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354415
PNG
(N-(1-(2-ethyl-3-((4- (4- fluorophenyl) thiazol-2- ...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCC(CC1)NS(C)(=O)=O
Show InChI InChI=1S/C24H28FN7O2S2/c1-4-19-23(30(2)24-27-20(15-35-24)16-5-7-17(25)8-6-16)32-21(26-19)9-10-22(28-32)31-13-11-18(12-14-31)29-36(3,33)34/h5-10,15,18,29H,4,11-14H2,1-3H3
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US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM354432
PNG
(US9796719, Compound 100 | [1-(2-Ethyl-3-{[4- (4-fl...)
Show SMILES CCc1nc2ccc(nn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCCC(CNC(=O)OC(C)(C)C)C1
Show InChI InChI=1S/C29H36FN7O2S/c1-6-22-26(35(5)27-33-23(18-40-27)20-9-11-21(30)12-10-20)37-24(32-22)13-14-25(34-37)36-15-7-8-19(17-36)16-31-28(38)39-29(2,3)4/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,31,38)
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US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...


US Patent US9796719 (2017)

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