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Patent code US9670204

Compile Data Set for Download or QSAR

Found 211 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))
BDBM192979
PNG
(US9670204, 159 1-(2-((2-ethyl-6-(1-(2-(3-hydroxyaz...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(=O)C(F)(F)F)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C31H32F4N6O3S/c1-3-23-29(38(2)30-37-26(19-4-7-21(32)8-5-19)27(45-30)28(44)31(33,34)35)41-14-20(6-9-24(41)36-23)18-10-12-39(13-11-18)17-25(43)40-15-22(42)16-40/h4-9,14,18,22,42H,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 di...


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More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM192950
PNG
(US9670204, 145 2-(4-(3-((5-cyano-4-(4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C29H32FN7OS/c1-5-23-28(35(4)29-33-27(24(16-31)39-29)20-6-9-22(30)10-7-20)37-17-21(8-11-25(37)32-23)19-12-14-36(15-13-19)18-26(38)34(2)3/h6-11,17,19H,5,12-15,18H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192991
PNG
(US9670204, 171 2-(4-(3-((4-(2-cyano-4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)C1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C29H32FN7OS/c1-5-24-28(35(4)29-33-25(18-39-29)23-8-7-22(30)14-21(23)15-31)37-16-20(6-9-26(37)32-24)19-10-12-36(13-11-19)17-27(38)34(2)3/h6-9,14,16,18-19H,5,10-13,17H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192994
PNG
(US9670204, 174 2-(4-(2-(2-cyanoethyl)-3-((4-(4-flu...)
Show SMILES CN(C)C(=O)CN1CCC(CC1)c1ccc2nc(CCC#N)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1
Show InChI InChI=1S/C29H32FN7OS/c1-34(2)27(38)18-36-15-12-20(13-16-36)22-8-11-26-32-24(5-4-14-31)28(37(26)17-22)35(3)29-33-25(19-39-29)21-6-9-23(30)10-7-21/h6-11,17,19-20H,4-5,12-13,15-16,18H2,1-3H3
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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 di...


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


(Homo sapiens (Human))
BDBM192947
PNG
(US9670204, 142 (R)-2-((2-ethyl-6-(1-(2-(3-hydroxyp...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)[N+]#[C-])-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@@H](O)C2)CC1
Show InChI InChI=1S/C31H34FN7O2S/c1-4-25-30(36(3)31-35-28(29(33-2)42-31)21-5-8-23(32)9-6-21)39-17-22(7-10-26(39)34-25)20-11-14-37(15-12-20)19-27(41)38-16-13-24(40)18-38/h5-10,17,20,24,40H,4,11-16,18-19H2,1,3H3/t24-/m1/s1
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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 di...


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


(Homo sapiens (Human))
BDBM192945
PNG
(US9670204, 140 2-(4-(3-((5-cyano-4-(4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C28H31FN8OS/c1-5-22-27(34(4)28-32-26(23(16-30)39-28)19-6-8-20(29)9-7-19)37-17-21(10-11-24(37)31-22)36-14-12-35(13-15-36)18-25(38)33(2)3/h6-11,17H,5,12-15,18H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192984
PNG
(US9670204, 164 2-(2-((2-ethyl-6-(4-(2-(3-fluoroaze...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(F)C2)CC1
Show InChI InChI=1S/C29H30F2N8OS/c1-3-24-28(35(2)29-34-25(18-41-29)23-6-4-20(30)12-19(23)13-32)39-16-22(5-7-26(39)33-24)37-10-8-36(9-11-37)17-27(40)38-14-21(31)15-38/h4-7,12,16,18,21H,3,8-11,14-15,17H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192988
PNG
(US9670204, 168 2-(4-(3-((4-(2-cyano-4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C28H31FN8OS/c1-5-23-27(34(4)28-32-24(18-39-28)22-8-6-20(29)14-19(22)15-30)37-16-21(7-9-25(37)31-23)36-12-10-35(11-13-36)17-26(38)33(2)3/h6-9,14,16,18H,5,10-13,17H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192989
PNG
(US9670204, 169 2-(4-(3-((4-(2-cyano-4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)NC)CC1
Show InChI InChI=1S/C27H29FN8OS/c1-4-22-26(33(3)27-32-23(17-38-27)21-7-5-19(28)13-18(21)14-29)36-15-20(6-8-24(36)31-22)35-11-9-34(10-12-35)16-25(37)30-2/h5-8,13,15,17H,4,9-12,16H2,1-3H3,(H,30,37)
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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 di...


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


(Homo sapiens (Human))
BDBM191788
PNG
(US9670204, 31 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2)CC1
Show InChI InChI=1S/C29H34FN7OS/c1-3-24-28(33(2)29-32-25(20-39-29)21-6-8-22(30)9-7-21)37-18-23(10-11-26(37)31-24)35-16-14-34(15-17-35)19-27(38)36-12-4-5-13-36/h6-11,18,20H,3-5,12-17,19H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192990
PNG
(US9670204, 170 2-(2-((2-ethyl-6-(1-(2-(3-hydroxyaz...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)C1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C30H32FN7O2S/c1-3-25-29(35(2)30-34-26(18-41-30)24-6-5-22(31)12-21(24)13-32)38-14-20(4-7-27(38)33-25)19-8-10-36(11-9-19)17-28(40)37-15-23(39)16-37/h4-7,12,14,18-19,23,39H,3,8-11,15-17H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192946
PNG
(US9670204, 141 2-((2-ethyl-6-(1-(2-(3-hydroxyazeti...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192948
PNG
(US9670204, 143 (S)-2-((2-ethyl-6-(1-(2-(3-hydroxyp...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)[N+]#[C-])-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@H](O)C2)CC1
Show InChI InChI=1S/C31H34FN7O2S/c1-4-25-30(36(3)31-35-28(29(33-2)42-31)21-5-8-23(32)9-6-21)39-17-22(7-10-26(39)34-25)20-11-14-37(15-12-20)19-27(41)38-16-13-24(40)18-38/h5-10,17,20,24,40H,4,11-16,18-19H2,1,3H3/t24-/m0/s1
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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 di...


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


(Homo sapiens (Human))
BDBM192986
PNG
(US9670204, 166 2-(2-((2-ethyl-6-(4-(2-(3-hydroxyaz...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C29H31FN8O2S/c1-3-24-28(34(2)29-33-25(18-41-29)23-6-4-20(30)12-19(23)13-31)38-14-21(5-7-26(38)32-24)36-10-8-35(9-11-36)17-27(40)37-15-22(39)16-37/h4-7,12,14,18,22,39H,3,8-11,15-17H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192616
PNG
(US9670204, 115 2-(4-(2-ethyl-3-((4-(4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CCCC2)CC1
Show InChI InChI=1S/C30H35FN6OS/c1-3-25-29(34(2)30-33-26(20-39-30)22-6-9-24(31)10-7-22)37-18-23(8-11-27(37)32-25)21-12-16-35(17-13-21)19-28(38)36-14-4-5-15-36/h6-11,18,20-21H,3-5,12-17,19H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192943
PNG
(US9670204, 138 2-((2-ethyl-6-(4-(2-(3-hydroxyazeti...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C29H31FN8O2S/c1-3-23-28(34(2)29-33-27(24(14-31)41-29)19-4-6-20(30)7-5-19)38-15-21(8-9-25(38)32-23)36-12-10-35(11-13-36)18-26(40)37-16-22(39)17-37/h4-9,15,22,39H,3,10-13,16-18H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192993
PNG
(US9670204, 173 2-(5-((2-ethyl-6-(1-(2-(3-hydroxyaz...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(ns1)-c1ccc(F)cc1C#N)C1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C29H31FN8O2S/c1-3-24-28(35(2)29-33-27(34-41-29)23-6-5-21(30)12-20(23)13-31)38-14-19(4-7-25(38)32-24)18-8-10-36(11-9-18)17-26(40)37-15-22(39)16-37/h4-7,12,14,18,22,39H,3,8-11,15-17H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM191618
PNG
(US9670204, 22 2-(4-(3-((5-cyano-4-(4-fluorophenyl)...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)NC)CC1
Show InChI InChI=1S/C27H29FN8OS/c1-4-21-26(33(3)27-32-25(22(15-29)38-27)18-5-7-19(28)8-6-18)36-16-20(9-10-23(36)31-21)35-13-11-34(12-14-35)17-24(37)30-2/h5-10,16H,4,11-14,17H2,1-3H3,(H,30,37)
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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 di...


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


(Homo sapiens (Human))
BDBM191784
PNG
(US9670204, 30 1-(azetidin-1-yl)-2-(4-(2-ethyl-3-((...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC2)CC1
Show InChI InChI=1S/C28H32FN7OS/c1-3-23-27(32(2)28-31-24(19-38-28)20-5-7-21(29)8-6-20)36-17-22(9-10-25(36)30-23)34-15-13-33(14-16-34)18-26(37)35-11-4-12-35/h5-10,17,19H,3-4,11-16,18H2,1-2H3
PDB

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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 di...


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


(Homo sapiens (Human))
BDBM192944
PNG
(US9670204, 139 2-((2-ethyl-6-(4-(2-(3-(hydroxymeth...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(CO)C2)CC1
Show InChI InChI=1S/C30H33FN8O2S/c1-3-24-29(35(2)30-34-28(25(14-32)42-30)21-4-6-22(31)7-5-21)39-17-23(8-9-26(39)33-24)37-12-10-36(11-13-37)18-27(41)38-15-20(16-38)19-40/h4-9,17,20,40H,3,10-13,15-16,18-19H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM191570
PNG
(US9670204, 12 2-((2-ethyl-8-fluoro-6-(4-(2-(3-hydr...)
Show SMILES CCc1nc2c(F)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C29H30F2N8O2S/c1-3-23-28(35(2)29-34-26(24(13-32)42-29)18-4-6-19(30)7-5-18)39-14-20(12-22(31)27(39)33-23)37-10-8-36(9-11-37)17-25(41)38-15-21(40)16-38/h4-7,12,14,21,40H,3,8-11,15-17H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192949
PNG
(US9670204, 144 2-((2-ethyl-6-(1-(2-(3-(hydroxymeth...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(CO)C2)CC1
Show InChI InChI=1S/C31H34FN7O2S/c1-3-25-30(36(2)31-35-29(26(14-33)42-31)22-4-7-24(32)8-5-22)39-17-23(6-9-27(39)34-25)21-10-12-37(13-11-21)18-28(41)38-15-20(16-38)19-40/h4-9,17,20-21,40H,3,10-13,15-16,18-19H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192987
PNG
(US9670204, 167 2-(2-((6-(4-(2-(azetidin-1-yl)-2-ox...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CCC2)CC1
Show InChI InChI=1S/C29H31FN8OS/c1-3-24-28(34(2)29-33-25(19-40-29)23-7-5-21(30)15-20(23)16-31)38-17-22(6-8-26(38)32-24)36-13-11-35(12-14-36)18-27(39)37-9-4-10-37/h5-8,15,17,19H,3-4,9-14,18H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192985
PNG
(US9670204, 165 2-(2-((6-(4-(2-(3,3-difluoroazetidi...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(F)(F)C2)CC1
Show InChI InChI=1S/C29H29F3N8OS/c1-3-23-27(36(2)28-35-24(16-42-28)22-6-4-20(30)12-19(22)13-33)40-14-21(5-7-25(40)34-23)38-10-8-37(9-11-38)15-26(41)39-17-29(31,32)18-39/h4-7,12,14,16H,3,8-11,15,17-18H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192952
PNG
(US9670204, 147 (2-((2-ethyl-6-(1-(methylsulfonyl)p...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(CO)s1)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H30FN5O3S2/c1-4-21-25(30(2)26-29-24(22(16-33)36-26)18-5-8-20(27)9-6-18)32-15-19(7-10-23(32)28-21)17-11-13-31(14-12-17)37(3,34)35/h5-10,15,17,33H,4,11-14,16H2,1-3H3
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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 di...


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


(Homo sapiens (Human))
BDBM191791
PNG
(US9670204, 34 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(CO)C2)CC1
Show InChI InChI=1S/C29H34FN7O2S/c1-3-24-28(33(2)29-32-25(19-40-29)21-4-6-22(30)7-5-21)37-16-23(8-9-26(37)31-24)35-12-10-34(11-13-35)17-27(39)36-14-20(15-36)18-38/h4-9,16,19-20,38H,3,10-15,17-18H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192212
PNG
(US9670204, 89 N-(2-ethyl-6-(1-(3-(pyrrolidin-1-yl)...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCN1CCCC1
Show InChI InChI=1S/C31H39FN6O2S2/c1-3-27-30(35(2)31-34-28(22-41-31)24-7-10-26(32)11-8-24)38-21-25(9-12-29(38)33-27)23-13-18-37(19-14-23)42(39,40)20-6-17-36-15-4-5-16-36/h7-12,21-23H,3-6,13-20H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192978
PNG
(US9670204, 158 2-(4-(2-ethyl-3-((4-(4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C(=O)C(F)(F)F)-c1ccc(F)cc1)N1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C29H31F4N7O2S/c1-5-21-27(37(4)28-35-24(18-6-8-19(30)9-7-18)25(43-28)26(42)29(31,32)33)40-16-20(10-11-22(40)34-21)39-14-12-38(13-15-39)17-23(41)36(2)3/h6-11,16H,5,12-15,17H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM191781
PNG
(US9670204, 27 N-(1-(2-(4-(2-ethyl-3-((4-(4-fluorop...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CCC(C2)NC(C)=O)CC1
Show InChI InChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41)
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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 di...


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


(Homo sapiens (Human))
BDBM192297
PNG
(US9670204, 101 N-(2-ethyl-6-(1-(methylsulfonyl)pip...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(C)s1)-c1ccc(F)cc1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-24(17(2)35-26)19-6-9-21(27)10-7-19)32-16-20(8-11-23(32)28-22)18-12-14-31(15-13-18)36(4,33)34/h6-11,16,18H,5,12-15H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192614
PNG
(US9670204, 113 2-(4-(2-ethyl-3-((4-(4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(CO)C2)CC1
Show InChI InChI=1S/C30H35FN6O2S/c1-3-25-29(34(2)30-33-26(19-40-30)22-4-7-24(31)8-5-22)37-16-23(6-9-27(37)32-25)21-10-12-35(13-11-21)17-28(39)36-14-20(15-36)18-38/h4-9,16,19-21,38H,3,10-15,17-18H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192620
PNG
(US9670204, 116 (S)-1-(2-(4-(2-ethyl-3-((4-(4-fluor...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@@H](C2)[N+]#[C-])CC1
Show InChI InChI=1S/C31H34FN7OS/c1-4-26-30(36(3)31-35-27(20-41-31)22-5-8-24(32)9-6-22)39-17-23(7-10-28(39)34-26)21-11-14-37(15-12-21)19-29(40)38-16-13-25(18-38)33-2/h5-10,17,20-21,25H,4,11-16,18-19H2,1,3H3/t25-/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 di...


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


(Homo sapiens (Human))
BDBM192916
PNG
(US9670204, 130 3-(dimethylamino)-1-(4-(2-ethyl-3-(...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)C(=O)CCN(C)C
Show InChI InChI=1S/C29H35FN6OS/c1-5-24-28(34(4)29-32-25(19-38-29)21-6-9-23(30)10-7-21)36-18-22(8-11-26(36)31-24)20-12-16-35(17-13-20)27(37)14-15-33(2)3/h6-11,18-20H,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 di...


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


(Homo sapiens (Human))
BDBM193337
PNG
(US9670204, 215 1-(4-(2-ethyl-3-((4-(4-fluorophenyl...)
Show SMILES CCC(=O)N1CCC(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1
Show InChI InChI=1S/C27H30FN5OS/c1-4-22-26(31(3)27-30-23(17-35-27)19-6-9-21(28)10-7-19)33-16-20(8-11-24(33)29-22)18-12-14-32(15-13-18)25(34)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 di...


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


(Homo sapiens (Human))
BDBM191384
PNG
(US9670204, 5 (S)-2-((2-ethyl-6-(4-(2-(3-hydroxypyr...)
Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@H](O)C2)CC1
Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m0/s1
PDB

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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 di...


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


(Homo sapiens (Human))
BDBM191780
PNG
(US9670204, 26 (R)-2-(4-(2-ethyl-3-((4-(4-fluorophe...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1
Show InChI InChI=1S/C29H34FN7O2S/c1-3-24-28(33(2)29-32-25(19-40-29)20-4-6-21(30)7-5-20)37-16-22(8-9-26(37)31-24)35-14-12-34(13-15-35)18-27(39)36-11-10-23(38)17-36/h4-9,16,19,23,38H,3,10-15,17-18H2,1-2H3/t23-/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 di...


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


(Homo sapiens (Human))
BDBM191794
PNG
(US9670204, 36 ethyl2-(4-(2-ethyl-3-((4-(4-fluoroph...)
Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1
Show InChI InChI=1S/C27H31FN6O2S/c1-4-22-26(31(3)27-30-23(18-37-27)19-6-8-20(28)9-7-19)34-16-21(10-11-24(34)29-22)33-14-12-32(13-15-33)17-25(35)36-5-2/h6-11,16,18H,4-5,12-15,17H2,1-3H3
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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 di...


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


(Homo sapiens (Human))
BDBM192272
PNG
(US9670204, 97 2-(2-((2-ethyl-6-(1-(methylsulfonyl)...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(C)s1)-c1ccc(F)cc1C#N)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H29FN6O2S2/c1-5-23-26(32(3)27-31-25(17(2)37-27)22-8-7-21(28)14-20(22)15-29)34-16-19(6-9-24(34)30-23)18-10-12-33(13-11-18)38(4,35)36/h6-9,14,16,18H,5,10-13H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192576
PNG
(US9670204, 111 (R)-2-(4-(2-ethyl-3-((4-(4-fluoroph...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@@H](O)C2)CC1
Show InChI InChI=1S/C30H35FN6O2S/c1-3-25-29(34(2)30-33-26(19-40-30)21-4-7-23(31)8-5-21)37-16-22(6-9-27(37)32-25)20-10-13-35(14-11-20)18-28(39)36-15-12-24(38)17-36/h4-9,16,19-20,24,38H,3,10-15,17-18H2,1-2H3/t24-/m1/s1
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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 di...


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More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM192775
PNG
(US9670204, 118 4-((4-(2-ethyl-3-((4-(4-fluoropheny...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC2COC(=O)O2)CC1
Show InChI InChI=1S/C28H30FN5O3S/c1-3-23-26(32(2)27-31-24(17-38-27)19-4-7-21(29)8-5-19)34-14-20(6-9-25(34)30-23)18-10-12-33(13-11-18)15-22-16-36-28(35)37-22/h4-9,14,17-18,22H,3,10-13,15-16H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM191376
PNG
(US9670204, 4 (R)-2-((2-ethyl-6-(4-(2-(3-hydroxypyr...)
Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC[C@@H](O)C2)CC1
Show InChI InChI=1S/C31H35FN8O2S/c1-4-25-30(36(3)31-35-28(26(16-33)43-31)21-5-7-22(32)8-6-21)40-17-23(15-20(2)29(40)34-25)38-13-11-37(12-14-38)19-27(42)39-10-9-24(41)18-39/h5-8,15,17,24,41H,4,9-14,18-19H2,1-3H3/t24-/m1/s1
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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 di...


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


(Homo sapiens (Human))
BDBM192190
PNG
(US9670204, 87 N-(6-(1-(3-(dimethylamino)propyl-sul...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCN(C)C
Show InChI InChI=1S/C29H37FN6O2S2/c1-5-25-28(34(4)29-32-26(20-39-29)22-7-10-24(30)11-8-22)36-19-23(9-12-27(36)31-25)21-13-16-35(17-14-21)40(37,38)18-6-15-33(2)3/h7-12,19-21H,5-6,13-18H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192475
PNG
(US9670204, 109 ethyl2-(4-(2-ethyl-3-((4-(4-fluorop...)
Show SMILES CCOC(=O)CN1CCC(CC1)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(F)cc3)n2c1
Show InChI InChI=1S/C28H32FN5O2S/c1-4-23-27(32(3)28-31-24(18-37-28)20-6-9-22(29)10-7-20)34-16-21(8-11-25(34)30-23)19-12-14-33(15-13-19)17-26(35)36-5-2/h6-11,16,18-19H,4-5,12-15,17H2,1-3H3
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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 di...


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


(Homo sapiens (Human))
BDBM192772
PNG
(US9670204, 117 2-(4-(2-ethyl-3-((4-(4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CCC(CO)C2)CC1
Show InChI InChI=1S/C31H37FN6O2S/c1-3-26-30(35(2)31-34-27(20-41-31)23-4-7-25(32)8-5-23)38-17-24(6-9-28(38)33-26)22-11-13-36(14-12-22)18-29(40)37-15-10-21(16-37)19-39/h4-9,17,20-22,39H,3,10-16,18-19H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM192915
PNG
(US9670204, 129 2-(dimethylamino)-1-(4-(2-ethyl-3-(...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC1)C(=O)CN(C)C
Show InChI InChI=1S/C28H33FN6OS/c1-5-23-27(33(4)28-31-24(18-37-28)20-6-9-22(29)10-7-20)35-16-21(8-11-25(35)30-23)19-12-14-34(15-13-19)26(36)17-32(2)3/h6-11,16,18-19H,5,12-15,17H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192954
PNG
(US9670204, 149 (2-((6-(1-(3-(dimethylamino)propyl-...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(CO)s1)-c1ccc(F)cc1)C1CCN(CC1)S(=O)(=O)CCCN(C)C
Show InChI InChI=1S/C30H39FN6O3S2/c1-5-25-29(35(4)30-33-28(26(20-38)41-30)22-7-10-24(31)11-8-22)37-19-23(9-12-27(37)32-25)21-13-16-36(17-14-21)42(39,40)18-6-15-34(2)3/h7-12,19,21,38H,5-6,13-18,20H2,1-4H3
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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 di...


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


(Homo sapiens (Human))
BDBM192959
PNG
(US9670204, 154 1-(4-(2-ethyl-3-((4-(4-fluorophenyl...)
Show SMILES CCC(=O)N1CCC(CC1)c1ccc2nc(CC)c(N(C)c3nc(c(CO)s3)-c3ccc(F)cc3)n2c1
Show InChI InChI=1S/C28H32FN5O2S/c1-4-22-27(32(3)28-31-26(23(17-35)37-28)19-6-9-21(29)10-7-19)34-16-20(8-11-24(34)30-22)18-12-14-33(15-13-18)25(36)5-2/h6-11,16,18,35H,4-5,12-15,17H2,1-3H3
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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 di...


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


(Homo sapiens (Human))
BDBM192982
PNG
(US9670204, 162 2-(2-((2-ethyl-6-(4-(2-(3-hydroxyaz...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(C)s1)-c1ccc(F)cc1C#N)N1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C30H33FN8O2S/c1-4-25-29(35(3)30-34-28(19(2)42-30)24-7-5-21(31)13-20(24)14-32)39-15-22(6-8-26(39)33-25)37-11-9-36(10-12-37)18-27(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
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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 di...


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


(Homo sapiens (Human))
BDBM193359
PNG
(US9670204, 223 2-(4-(2-ethyl-3-((4-(4-fluorophenyl...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CCC(O)C2)CC1
Show InChI InChI=1S/C30H35FN6O2S/c1-3-25-29(34(2)30-33-26(19-40-30)21-4-7-23(31)8-5-21)37-16-22(6-9-27(37)32-25)20-10-13-35(14-11-20)18-28(39)36-15-12-24(38)17-36/h4-9,16,19-20,24,38H,3,10-15,17-18H2,1-2H3
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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 di...


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


(Homo sapiens (Human))
BDBM50187686
PNG
(CHEMBL3828074 | US9670204, 2 2-((2-ethyl-6-(4-(2-(...)
Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
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US Patent
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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 di...


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