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Compile Data Set for Download or QSAR

Found 245 hits Enz. Inhib. hit(s) with all data for entry = 2524   
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


(Homo sapiens (Human))		BDBM369905
PNG
((R)—N-(1-Cyclohexyl-2-(3-methyl-2,4-dioxo-1-p...)
Show SMILES CN1C(=O)N(c2ccccc2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cccc(C)c2)C2CCCCC2)C1=O |r|
Show InChI InChI=1S/C30H36N4O4/c1-21-10-9-13-23(20-21)26(35)31-25(22-11-5-3-6-12-22)27(36)33-18-16-30(17-19-33)28(37)32(2)29(38)34(30)24-14-7-4-8-15-24/h4,7-10,13-15,20,22,25H,3,5-6,11-12,16-19H2,1-2H3,(H,31,35)/t25-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369906
PNG
(2-Fluoro-3-methyl-N-((2R,3R)-3-methyl-1-(3-methyl-...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)c1cccc(C)c1F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H33FN4O4/c1-5-18(2)23(30-24(34)21-13-9-10-19(3)22(21)29)25(35)32-16-14-28(15-17-32)26(36)31(4)27(37)33(28)20-11-7-6-8-12-20/h6-13,18,23H,5,14-17H2,1-4H3,(H,30,34)/t18-,23-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369909
PNG
((R)—N-(1-(3-(Cyanomethyl)-1-(4-methoxyphenyl)...)
Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)C)C(=O)N1CCC2(CC1)N(C(=O)N(CC#N)C2=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C30H34FN5O5/c1-5-20-6-11-24(31)23(18-20)26(37)33-25(19(2)3)27(38)34-15-12-30(13-16-34)28(39)35(17-14-32)29(40)36(30)21-7-9-22(41-4)10-8-21/h6-11,18-19,25H,5,12-13,15-17H2,1-4H3,(H,33,37)/t25-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369910
PNG
((R)-2-Fluoro-N-(1-(1-(3-fluoro-4-methoxyphenyl)-3-...)
Show SMILES COc1ccc(cc1F)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C28H29F5N4O5/c1-15(2)22(34-23(38)18-13-16(28(31,32)33)5-7-19(18)29)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)17-6-8-21(42-4)20(30)14-17/h5-8,13-15,22H,9-12H2,1-4H3,(H,34,38)/t22-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369911
PNG
((R)—N-(1-(1-(4-Cyanophenyl)-3-methyl-2,4-diox...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H27F4N5O4/c1-16(2)22(34-23(38)20-14-18(28(30,31)32)6-9-21(20)29)24(39)36-12-10-27(11-13-36)25(40)35(3)26(41)37(27)19-7-4-17(15-33)5-8-19/h4-9,14,16,22H,10-13H2,1-3H3,(H,34,38)/t22-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369912
PNG
((R)—N-(1-(1-(3-Cyanophenyl)-3-methyl-2,4-diox...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C28H27F4N5O4/c1-16(2)22(34-23(38)20-14-18(28(30,31)32)7-8-21(20)29)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)19-6-4-5-17(13-19)15-33/h4-8,13-14,16,22H,9-12H2,1-3H3,(H,34,38)/t22-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369913
PNG
((R)-2-Fluoro-N-(1-(1-(3-methoxyphenyl)-3-methyl-2,...)
Show SMILES COc1cccc(c1)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C28H30F4N4O5/c1-16(2)22(33-23(37)20-14-17(28(30,31)32)8-9-21(20)29)24(38)35-12-10-27(11-13-35)25(39)34(3)26(40)36(27)18-6-5-7-19(15-18)41-4/h5-9,14-16,22H,10-13H2,1-4H3,(H,33,37)/t22-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369914
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-1-(1-methyl-1...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2n(C)ncc2c1 |r|
Show InChI InChI=1S/C29H30F4N6O4/c1-16(2)23(35-24(40)20-14-18(29(31,32)33)5-7-21(20)30)25(41)38-11-9-28(10-12-38)26(42)36(3)27(43)39(28)19-6-8-22-17(13-19)15-34-37(22)4/h5-8,13-16,23H,9-12H2,1-4H3,(H,35,40)/t23-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369915
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-1-(2-methyl-2...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2nn(C)cc2c1 |r|
Show InChI InChI=1S/C29H30F4N6O4/c1-16(2)23(34-24(40)20-14-18(29(31,32)33)5-7-21(20)30)25(41)38-11-9-28(10-12-38)26(42)37(4)27(43)39(28)19-6-8-22-17(13-19)15-36(3)35-22/h5-8,13-16,23H,9-12H2,1-4H3,(H,34,40)/t23-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369916
PNG
((R)-2-Fluoro-N-(1-(1-(imidazo[1,2-a]pyridin-6-yl)-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2nccn2c1 |r|
Show InChI InChI=1S/C28H28F4N6O4/c1-16(2)22(34-23(39)19-14-17(28(30,31)32)4-6-20(19)29)24(40)36-11-8-27(9-12-36)25(41)35(3)26(42)38(27)18-5-7-21-33-10-13-37(21)15-18/h4-7,10,13-16,22H,8-9,11-12H2,1-3H3,(H,34,39)/t22-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369918
PNG
((R)-5-Ethyl-2-fluoro-N-(3-methyl-1-(3-methyl-1-(3-...)
Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)C)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2cnc(C)n2c1 |r|
Show InChI InChI=1S/C30H35FN6O4/c1-6-20-7-10-24(31)23(15-20)26(38)33-25(18(2)3)27(39)35-13-11-30(12-14-35)28(40)34(5)29(41)37(30)22-9-8-21-16-32-19(4)36(21)17-22/h7-10,15-18,25H,6,11-14H2,1-5H3,(H,33,38)/t25-/m1/s1
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Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369919
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-(...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1cnc2[nH]ccc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369920
PNG
((R)—N-(1-(1-(3,4-Dihydro-2H-benzo[b][1,4]oxaz...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2NCCOc2c1 |r|
Show InChI InChI=1S/C29H31F4N5O5/c1-16(2)23(35-24(39)19-14-17(29(31,32)33)4-6-20(19)30)25(40)37-11-8-28(9-12-37)26(41)36(3)27(42)38(28)18-5-7-21-22(15-18)43-13-10-34-21/h4-7,14-16,23,34H,8-13H2,1-3H3,(H,35,39)/t23-/m1/s1
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Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369921
PNG
((R)—N-(1-Cyclopentyl-2-(3-methyl-1-(1-methyl-...)
Show SMILES CN1C(=O)N(c2ccc(=O)n(C)c2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cc(ccc2F)C(F)(F)F)C2CCCC2)C1=O |r|
Show InChI InChI=1S/C29H31F4N5O5/c1-35-16-19(8-10-22(35)39)38-27(43)36(2)26(42)28(38)11-13-37(14-12-28)25(41)23(17-5-3-4-6-17)34-24(40)20-15-18(29(31,32)33)7-9-21(20)30/h7-10,15-17,23H,3-6,11-14H2,1-2H3,(H,34,40)/t23-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369922
PNG
((R)-2-Fluoro-N-(1-(1-(6-methoxypyridin-3-yl)-3-met...)
Show SMILES COc1ccc(cn1)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C27H29F4N5O5/c1-15(2)21(33-22(37)18-13-16(27(29,30)31)5-7-19(18)28)23(38)35-11-9-26(10-12-35)24(39)34(3)25(40)36(26)17-6-8-20(41-4)32-14-17/h5-8,13-15,21H,9-12H2,1-4H3,(H,33,37)/t21-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369923
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-(...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C28H27F7N4O5/c1-15(2)21(36-22(40)19-14-16(27(30,31)32)4-9-20(19)29)23(41)38-12-10-26(11-13-38)24(42)37(3)25(43)39(26)17-5-7-18(8-6-17)44-28(33,34)35/h4-9,14-15,21H,10-13H2,1-3H3,(H,36,40)/t21-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369924
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-(...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C29H28F4N4O5/c1-16(2)23(34-24(38)20-15-18(29(31,32)33)4-6-21(20)30)25(39)36-11-9-28(10-12-36)26(40)35(3)27(41)37(28)19-5-7-22-17(14-19)8-13-42-22/h4-8,13-16,23H,9-12H2,1-3H3,(H,34,38)/t23-/m1/s1
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Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369925
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-(...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]c(=O)oc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369926
PNG
((R)-5-Ethyl-2-fluoro-N-(3-methyl-1-(3-methyl-2,4-d...)
Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)C)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]c(=O)oc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369927
PNG
((R)—N-(1-(1-(1H-Benzo[d][1,2,3]triazol-5-yl)-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]nnc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369928
PNG
(5-Ethyl-2-fluoro-N-((2R,3S)-3-methoxy-1-(3-methyl-...)
Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H]([C@H](C)OC)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H33FN4O5/c1-5-19-11-12-22(29)21(17-19)24(34)30-23(18(2)38-4)25(35)32-15-13-28(14-16-32)26(36)31(3)27(37)33(28)20-9-7-6-8-10-20/h6-12,17-18,23H,5,13-16H2,1-4H3,(H,30,34)/t18-,23+/m0/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369929
PNG
((R)-5-Ethyl-2-fluoro-N-(3-methyl-1-(3-methyl-2,4-d...)
Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)C)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H33FN4O4/c1-5-19-11-12-22(29)21(17-19)24(34)30-23(18(2)3)25(35)32-15-13-28(14-16-32)26(36)31(4)27(37)33(28)20-9-7-6-8-10-20/h6-12,17-18,23H,5,13-16H2,1-4H3,(H,30,34)/t23-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369930
PNG
(5-Ethyl-2-fluoro-N-((2R,3R)-3-methoxy-1-(1-(4-meth...)
Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)OC)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C29H35FN4O6/c1-6-19-7-12-23(30)22(17-19)25(35)31-24(18(2)39-4)26(36)33-15-13-29(14-16-33)27(37)32(3)28(38)34(29)20-8-10-21(40-5)11-9-20/h7-12,17-18,24H,6,13-16H2,1-5H3,(H,31,35)/t18?,24-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369931
PNG
(3-Fluoro-N-((2R,3R)-1-(1-(4-methoxyphenyl)-3-methy...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)c1cc(C)cc(F)c1)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C29H35FN4O5/c1-6-19(3)24(31-25(35)20-15-18(2)16-21(30)17-20)26(36)33-13-11-29(12-14-33)27(37)32(4)28(38)34(29)22-7-9-23(39-5)10-8-22/h7-10,15-17,19,24H,6,11-14H2,1-5H3,(H,31,35)/t19-,24-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369932
PNG
((R)-5-Cyclopropyl-2-fluoro-N-(3-methyl-1-(3-methyl...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C1CC1)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H33FN4O4/c1-18(2)24(31-25(35)22-17-20(19-9-10-19)11-12-23(22)30)26(36)33-15-13-29(14-16-33)27(37)32(3)28(38)34(29)21-7-5-4-6-8-21/h4-8,11-12,17-19,24H,9-10,13-16H2,1-3H3,(H,31,35)/t24-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369933
PNG
((R)-5-Chloro-2-fluoro-N-(3-methyl-1-(3-methyl-2,4-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H28ClFN4O4/c1-16(2)21(29-22(33)19-15-17(27)9-10-20(19)28)23(34)31-13-11-26(12-14-31)24(35)30(3)25(36)32(26)18-7-5-4-6-8-18/h4-10,15-16,21H,11-14H2,1-3H3,(H,29,33)/t21-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369934
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-2,4-dioxo-1-p...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H28F4N4O4/c1-16(2)21(32-22(36)19-15-17(27(29,30)31)9-10-20(19)28)23(37)34-13-11-26(12-14-34)24(38)33(3)25(39)35(26)18-7-5-4-6-8-18/h4-10,15-16,21H,11-14H2,1-3H3,(H,32,36)/t21-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369935
PNG
((R)-5-Cyclopropyl-2-fluoro-N-(1-(1-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C1CC1)C(C)C |r|
Show InChI InChI=1S/C30H35FN4O5/c1-18(2)25(32-26(36)23-17-20(19-5-6-19)7-12-24(23)31)27(37)34-15-13-30(14-16-34)28(38)33(3)29(39)35(30)21-8-10-22(40-4)11-9-21/h7-12,17-19,25H,5-6,13-16H2,1-4H3,(H,32,36)/t25-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369936
PNG
((R)-3,5-Dichloro-N-(3-methyl-1-(3-methyl-2,4-dioxo...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-16(2)21(29-22(33)17-13-18(27)15-19(28)14-17)23(34)31-11-9-26(10-12-31)24(35)30(3)25(36)32(26)20-7-5-4-6-8-20/h4-8,13-16,21H,9-12H2,1-3H3,(H,29,33)/t21-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369937
PNG
(5-Cyclopropyl-2-fluoro-N-((2R,3R)-3-methoxy-1-(1-(...)
Show SMILES COC(C)[C@@H](NC(=O)c1cc(ccc1F)C1CC1)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C30H35FN4O6/c1-18(40-3)25(32-26(36)23-17-20(19-5-6-19)7-12-24(23)31)27(37)34-15-13-30(14-16-34)28(38)33(2)29(39)35(30)21-8-10-22(41-4)11-9-21/h7-12,17-19,25H,5-6,13-16H2,1-4H3,(H,32,36)/t18?,25-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369938
PNG
((R)-5-Ethyl-2-fluoro-N-(1-(1-(4-methoxyphenyl)-3-m...)
Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)C)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C29H35FN4O5/c1-6-19-7-12-23(30)22(17-19)25(35)31-24(18(2)3)26(36)33-15-13-29(14-16-33)27(37)32(4)28(38)34(29)20-8-10-21(39-5)11-9-20/h7-12,17-18,24H,6,13-16H2,1-5H3,(H,31,35)/t24-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369939
PNG
((R)-2-Fluoro-N-(1-(1-(4-methoxyphenyl)-3-methyl-2,...)
Show SMILES COc1ccc(cc1)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C28H30F4N4O5/c1-16(2)22(33-23(37)20-15-17(28(30,31)32)5-10-21(20)29)24(38)35-13-11-27(12-14-35)25(39)34(3)26(40)36(27)18-6-8-19(41-4)9-7-18/h5-10,15-16,22H,11-14H2,1-4H3,(H,33,37)/t22-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369940
PNG
((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369941
PNG
((R)—N-(1-(1-(1H-Indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C1CC1)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369942
PNG
((R)—N-(1-(1-(1H-Indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CCc1ccc(F)c(c1)C(=O)N[C@H](C(C)C)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369943
PNG
((R)—N-(1-(1-(1H-Indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(C)ccc1F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369944
PNG
((R)—N-(2-(1-(1H-Indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CN1C(=O)N(c2ccc3[nH]ncc3c2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cc(ccc2F)C(F)(F)F)C2CCCC2)C1=O |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369945
PNG
((R)—N-(2-(1-(1H-Indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CN1C(=O)N(c2ccc3[nH]ncc3c2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cc(ccc2F)C(F)(F)F)C2CCC2)C1=O |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369946
PNG
(US10233182, Example 59)
Show SMILES CC(C)[C@@H](NC(=O)c1cccc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369947
PNG
((R)—N-(1-(1-(1H-Indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(Cl)cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369948
PNG
((R)—N-(1-(1-(1H-Indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(OC(F)(F)F)ccc1F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369949
PNG
((R)—N-(1-(1-(1H-Indazol-5-yl)-3-methyl-2,4-di...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(OC(F)F)ccc1F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369950
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-1-(4-(oxetan-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(OCC2COC2)cc1 |r|
Show InChI InChI=1S/C31H34F4N4O6/c1-18(2)25(36-26(40)23-14-20(31(33,34)35)4-9-24(23)32)27(41)38-12-10-30(11-13-38)28(42)37(3)29(43)39(30)21-5-7-22(8-6-21)45-17-19-15-44-16-19/h4-9,14,18-19,25H,10-13,15-17H2,1-3H3,(H,36,40)/t25-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369951
PNG
((R)-2-Fluoro-N-(1-(1-(4-(2-hydroxyethoxy)phenyl)-3...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc(OCCO)cc1 |r|
Show InChI InChI=1S/C29H32F4N4O6/c1-17(2)23(34-24(39)21-16-18(29(31,32)33)4-9-22(21)30)25(40)36-12-10-28(11-13-36)26(41)35(3)27(42)37(28)19-5-7-20(8-6-19)43-15-14-38/h4-9,16-17,23,38H,10-15H2,1-3H3,(H,34,39)/t23-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369952
PNG
((R)—N-(1-(1-(4-Cyanobenzyl)-3-methyl-2,4-diox...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(Cc1ccc(cc1)C#N)C(=O)N(C)C2=O |r|
Show InChI InChI=1S/C29H29F4N5O4/c1-17(2)23(35-24(39)21-14-20(29(31,32)33)8-9-22(21)30)25(40)37-12-10-28(11-13-37)26(41)36(3)27(42)38(28)16-19-6-4-18(15-34)5-7-19/h4-9,14,17,23H,10-13,16H2,1-3H3,(H,35,39)/t23-/m1/s1
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Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369953
PNG
((R)—N-(1-(1-Benzyl-3-methyl-2,4-dioxo-1,3,8-t...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)N(C)C2=O |r|
Show InChI InChI=1S/C28H30F4N4O4/c1-17(2)22(33-23(37)20-15-19(28(30,31)32)9-10-21(20)29)24(38)35-13-11-27(12-14-35)25(39)34(3)26(40)36(27)16-18-7-5-4-6-8-18/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,33,37)/t22-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369954
PNG
((R)-2-Fluoro-N-(1-(1-(4-fluorobenzyl)-3-methyl-2,4...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(Cc1ccc(F)cc1)C(=O)N(C)C2=O |r|
Show InChI InChI=1S/C28H29F5N4O4/c1-16(2)22(34-23(38)20-14-18(28(31,32)33)6-9-21(20)30)24(39)36-12-10-27(11-13-36)25(40)35(3)26(41)37(27)15-17-4-7-19(29)8-5-17/h4-9,14,16,22H,10-13,15H2,1-3H3,(H,34,38)/t22-/m1/s1
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Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369955
PNG
((R)-2-Fluoro-N-(1-(1-(4-methoxybenzyl)-3-methyl-2,...)
Show SMILES COc1ccc(CN2C(=O)N(C)C(=O)C22CCN(CC2)C(=O)[C@H](NC(=O)c2cc(ccc2F)C(F)(F)F)C(C)C)cc1 |r|
Show InChI InChI=1S/C29H32F4N4O5/c1-17(2)23(34-24(38)21-15-19(29(31,32)33)7-10-22(21)30)25(39)36-13-11-28(12-14-36)26(40)35(3)27(41)37(28)16-18-5-8-20(42-4)9-6-18/h5-10,15,17,23H,11-14,16H2,1-4H3,(H,34,38)/t23-/m1/s1
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Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369956
PNG
((R)-2-Fluoro-N-(1-(1-((2-methoxypyridin-4-yl)methy...)
Show SMILES COc1cc(CN2C(=O)N(C)C(=O)C22CCN(CC2)C(=O)[C@H](NC(=O)c2cc(ccc2F)C(F)(F)F)C(C)C)ccn1 |r|
Show InChI InChI=1S/C28H31F4N5O5/c1-16(2)22(34-23(38)19-14-18(28(30,31)32)5-6-20(19)29)24(39)36-11-8-27(9-12-36)25(40)35(3)26(41)37(27)15-17-7-10-33-21(13-17)42-4/h5-7,10,13-14,16,22H,8-9,11-12,15H2,1-4H3,(H,34,38)/t22-/m1/s1
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Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369957
PNG
((R)—N-(1-(1-((2,3-Dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(Cc1ccc3OCCOc3c1)C(=O)N(C)C2=O |r|
Show InChI InChI=1S/C30H32F4N4O6/c1-17(2)24(35-25(39)20-15-19(30(32,33)34)5-6-21(20)31)26(40)37-10-8-29(9-11-37)27(41)36(3)28(42)38(29)16-18-4-7-22-23(14-18)44-13-12-43-22/h4-7,14-15,17,24H,8-13,16H2,1-3H3,(H,35,39)/t24-/m1/s1
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Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair
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