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PubMed code 20536182

Compile data set for download or QSAR
Found 36 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))
BDBM50322727
PNG
(4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-24(27)29)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a 5.70n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322725
PNG
(3-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1cccc(COc2cccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)c1
Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-7-16(8-10-20)14-27-23(28)22(33-24(27)29)13-17-3-2-6-21(12-17)32-15-18-4-1-5-19(11-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a 12n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322724
PNG
(3-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1
Show InChI InChI=1S/C24H19BFNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-24(27)29)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a 28n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322728
PNG
(4-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1ccc(COc2cccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)cc1
Show InChI InChI=1S/C24H19BFNO5S/c26-20-10-6-16(7-11-20)14-27-23(28)22(33-24(27)29)13-18-2-1-3-21(12-18)32-15-17-4-8-19(9-5-17)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a 30n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322707
PNG
(6-amino-4-(4-(dimethylamino)phenyl)-3-(4-isobutylp...)
Show SMILES CC(C)Cc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H27N5O/c1-15(2)13-16-5-7-18(8-6-16)23-22-21(17-9-11-19(12-10-17)30(3)4)20(14-26)24(27)31-25(22)29-28-23/h5-12,15,20-21,27H,13H2,1-4H3,(H,28,29)
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n/an/a 46n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322708
PNG
(4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H20FNO6S/c1-33-22-12-18(6-11-21(22)34-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)28(26(32)35-23)14-16-4-9-20(27)10-5-16/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-
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n/an/a 56n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322706
PNG
(3-(4-chlorobenzyl)-5-(3-methoxy-4-(pyridin-4-ylmet...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccncc1
Show InChI InChI=1S/C24H19ClN2O4S/c1-30-21-12-18(4-7-20(21)31-15-17-8-10-26-11-9-17)13-22-23(28)27(24(29)32-22)14-16-2-5-19(25)6-3-16/h2-13H,14-15H2,1H3/b22-13-
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n/an/a 68n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322705
PNG
(3-benzyl-5-((1,3-dimethyl-2-oxo-2,3-dihydro-1H-ben...)
Show SMILES Cn1c2ccc(\C=C3/SC(=O)N(Cc4ccccc4)C3=O)cc2n(C)c1=O
Show InChI InChI=1S/C20H17N3O3S/c1-21-15-9-8-14(10-16(15)22(2)19(21)25)11-17-18(24)23(20(26)27-17)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/b17-11-
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n/an/a 111n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322709
PNG
(4-((4-((3-benzyl-2,4-dioxothiazolidin-5-ylidene)me...)
Show SMILES CCOc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H23NO6S/c1-2-33-23-14-20(10-13-22(23)34-17-19-8-11-21(12-9-19)26(30)31)15-24-25(29)28(27(32)35-24)16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,30,31)/b24-15-
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n/an/a 161n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322710
PNG
(4-((4-((3-benzyl-2,4-dioxothiazolidin-5-ylidene)me...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H21NO6S/c1-32-22-13-19(9-12-21(22)33-16-18-7-10-20(11-8-18)25(29)30)14-23-24(28)27(26(31)34-23)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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n/an/a 248n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322704
PNG
(CHEMBL1173377 | N-(3-chlorophenyl)-2-(6-(1,3-dioxo...)
Show SMILES Clc1cccc(NC(=O)CSc2nc3ccc(cc3s2)N2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C23H14ClN3O3S2/c24-13-4-3-5-14(10-13)25-20(28)12-31-23-26-18-9-8-15(11-19(18)32-23)27-21(29)16-6-1-2-7-17(16)22(27)30/h1-11H,12H2,(H,25,28)
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n/an/a 261n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322703
PNG
(4-((2-methoxy-4-((3-(4-nitrobenzyl)-2,4-dioxothiaz...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H20N2O8S/c1-35-22-12-18(6-11-21(22)36-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)27(26(32)37-23)14-16-4-9-20(10-5-16)28(33)34/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-
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n/an/a 442n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50148348
PNG
((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O
Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1
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n/an/a 442n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322715
PNG
(5-(4-(benzyloxy)benzylidene)-3-(4-fluorobenzyl)thi...)
Show SMILES Fc1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C24H18FNO3S/c25-20-10-6-18(7-11-20)15-26-23(27)22(30-24(26)28)14-17-8-12-21(13-9-17)29-16-19-4-2-1-3-5-19/h1-14H,15-16H2/b22-14-
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Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322699
PNG
(3-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-...)
Show SMILES OC(=O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1
Show InChI InChI=1S/C25H18FNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-25(27)31)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)24(29)30/h1-13H,14-15H2,(H,29,30)/b22-13-
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n/an/a 1.07E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322701
PNG
(4-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H18FNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-25(27)31)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)24(29)30/h1-13H,14-15H2,(H,29,30)/b22-13-
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n/an/a 1.63E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322700
PNG
(3-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H20FNO6S/c1-33-22-12-17(7-10-21(22)34-15-18-3-2-4-19(11-18)25(30)31)13-23-24(29)28(26(32)35-23)14-16-5-8-20(27)9-6-16/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-
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n/an/a 2.05E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322708
PNG
(4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H20FNO6S/c1-33-22-12-18(6-11-21(22)34-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)28(26(32)35-23)14-16-4-9-20(27)10-5-16/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322716
PNG
(3-benzyl-5-(4-(benzyloxy)benzylidene)thiazolidine-...)
Show SMILES O=C1S\C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C24H19NO3S/c26-23-22(29-24(27)25(23)16-19-7-3-1-4-8-19)15-18-11-13-21(14-12-18)28-17-20-9-5-2-6-10-20/h1-15H,16-17H2/b22-15-
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n/an/a 2.69E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322723
PNG
(CHEMBL1173235 | methyl4-((4-((3-benzyl-2,4-dioxoth...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccccc4)C3=O)cc2OC)cc1
Show InChI InChI=1S/C27H23NO6S/c1-32-23-14-20(10-13-22(23)34-17-19-8-11-21(12-9-19)26(30)33-2)15-24-25(29)28(27(31)35-24)16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3/b24-15-
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n/an/a 2.69E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322710
PNG
(4-((4-((3-benzyl-2,4-dioxothiazolidin-5-ylidene)me...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H21NO6S/c1-32-22-13-19(9-12-21(22)33-16-18-7-10-20(11-8-18)25(29)30)14-23-24(28)27(26(31)34-23)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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n/an/a 2.90E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322703
PNG
(4-((2-methoxy-4-((3-(4-nitrobenzyl)-2,4-dioxothiaz...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H20N2O8S/c1-35-22-12-18(6-11-21(22)36-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)27(26(32)37-23)14-16-4-9-20(10-5-16)28(33)34/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-
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n/an/a>5.00E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322729
PNG
(2-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1ccccc1COc1cccc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1
Show InChI InChI=1S/C24H19BFNO5S/c26-19-10-8-16(9-11-19)14-27-23(28)22(33-24(27)29)13-17-4-3-6-20(12-17)32-15-18-5-1-2-7-21(18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a>5.00E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322726
PNG
(2-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1ccccc1COc1ccc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C24H19BFNO5S/c26-19-9-5-17(6-10-19)14-27-23(28)22(33-24(27)29)13-16-7-11-20(12-8-16)32-15-18-3-1-2-4-21(18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a>5.00E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322718
PNG
(5-(4-(benzyloxy)-3-methoxybenzylidene)-3-(4-fluoro...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H20FNO4S/c1-30-22-13-19(9-12-21(22)31-16-18-5-3-2-4-6-18)14-23-24(28)27(25(29)32-23)15-17-7-10-20(26)11-8-17/h2-14H,15-16H2,1H3/b23-14-
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n/an/a 5.87E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322702
PNG
(4-((4-((3-(4-tert-butylbenzyl)-2,4-dioxothiazolidi...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(C)(C)C)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H29NO6S/c1-30(2,3)23-12-7-19(8-13-23)17-31-27(32)26(38-29(31)35)16-21-9-14-24(25(15-21)36-4)37-18-20-5-10-22(11-6-20)28(33)34/h5-16H,17-18H2,1-4H3,(H,33,34)/b26-16-
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n/an/a 1.36E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322702
PNG
(4-((4-((3-(4-tert-butylbenzyl)-2,4-dioxothiazolidi...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(C)(C)C)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H29NO6S/c1-30(2,3)23-12-7-19(8-13-23)17-31-27(32)26(38-29(31)35)16-21-9-14-24(25(15-21)36-4)37-18-20-5-10-22(11-6-20)28(33)34/h5-16H,17-18H2,1-4H3,(H,33,34)/b26-16-
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n/an/a 1.82E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322721
PNG
(CHEMBL1172970 | methyl4-((2-methoxy-4-((3-(4-nitro...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(cc4)[N+]([O-])=O)C3=O)cc2OC)cc1
Show InChI InChI=1S/C27H22N2O8S/c1-35-23-13-19(7-12-22(23)37-16-18-3-8-20(9-4-18)26(31)36-2)14-24-25(30)28(27(32)38-24)15-17-5-10-21(11-6-17)29(33)34/h3-14H,15-16H2,1-2H3/b24-14-
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n/an/a 6.09E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322713
PNG
(5-(4-(benzyloxy)benzylidene)-3-(4-tert-butylbenzyl...)
Show SMILES CC(C)(C)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C28H27NO3S/c1-28(2,3)23-13-9-21(10-14-23)18-29-26(30)25(33-27(29)31)17-20-11-15-24(16-12-20)32-19-22-7-5-4-6-8-22/h4-17H,18-19H2,1-3H3/b25-17-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322722
PNG
(CHEMBL1172969 | methy4-((4-((3-(4-fluorobenzyl)-2,...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2OC)cc1
Show InChI InChI=1S/C27H22FNO6S/c1-33-23-13-19(7-12-22(23)35-16-18-3-8-20(9-4-18)26(31)34-2)14-24-25(30)29(27(32)36-24)15-17-5-10-21(28)11-6-17/h3-14H,15-16H2,1-2H3/b24-14-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322717
PNG
(5-(4-(benzyloxy)-3-methoxybenzylidene)-3-(4-nitrob...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H20N2O6S/c1-32-22-13-19(9-12-21(22)33-16-18-5-3-2-4-6-18)14-23-24(28)26(25(29)34-23)15-17-7-10-20(11-8-17)27(30)31/h2-14H,15-16H2,1H3/b23-14-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322720
PNG
(CHEMBL1172921 | methyl4-((4-((3-(4-tert-butylbenzy...)
Show SMILES COC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(cc4)C(C)(C)C)C3=O)cc2OC)cc1
Show InChI InChI=1S/C31H31NO6S/c1-31(2,3)24-13-8-20(9-14-24)18-32-28(33)27(39-30(32)35)17-22-10-15-25(26(16-22)36-4)38-19-21-6-11-23(12-7-21)29(34)37-5/h6-17H,18-19H2,1-5H3/b27-17-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322714
PNG
(5-(4-(benzyloxy)benzylidene)-3-(4-nitrobenzyl)thia...)
Show SMILES [O-][N+](=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C24H18N2O5S/c27-23-22(32-24(28)25(23)15-18-6-10-20(11-7-18)26(29)30)14-17-8-12-21(13-9-17)31-16-19-4-2-1-3-5-19/h1-14H,15-16H2/b22-14-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322719
PNG
(3-benzyl-5-(4-(benzyloxy)-3-methoxybenzylidene)thi...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H21NO4S/c1-29-22-14-20(12-13-21(22)30-17-19-10-6-3-7-11-19)15-23-24(27)26(25(28)31-23)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3/b23-15-
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n/an/a 1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322712
PNG
(3-benzyl-5-benzylidenethiazolidine-2,4-dione | CHE...)
Show SMILES O=C1S\C(=C/c2ccccc2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C17H13NO2S/c19-16-15(11-13-7-3-1-4-8-13)21-17(20)18(16)12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322711
PNG
(5-benzylidene-3-(4-fluorobenzyl)thiazolidine-2,4-d...)
Show SMILES Fc1ccc(CN2C(=O)S\C(=C/c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C17H12FNO2S/c18-14-8-6-13(7-9-14)11-19-16(20)15(22-17(19)21)10-12-4-2-1-3-5-12/h1-10H,11H2/b15-10-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%