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PubMed code 21615078

Compile data set for download or QSAR
Found 15 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))
BDBM50347722
PNG
(CHEMBL1802517)
Show SMILES CN1C(=O)N(Cc2ccc(F)cc2)C(=O)\C1=C/c1ccc(OCc2ccc(cc2)B(O)O)cc1
Show InChI InChI=1S/C25H22BFN2O5/c1-28-23(24(30)29(25(28)31)15-18-4-10-21(27)11-5-18)14-17-6-12-22(13-7-17)34-16-19-2-8-20(9-3-19)26(32)33/h2-14,32-33H,15-16H2,1H3/b23-14+
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n/an/a 5.30n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
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



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347723
PNG
(CHEMBL1802518)
Show SMILES CN1C(=O)N(Cc2ccc(F)cc2)C(=O)\C1=C\c1ccc(OCc2ccc(cc2)B(O)O)cc1
Show InChI InChI=1S/C25H22BFN2O5/c1-28-23(24(30)29(25(28)31)15-18-4-10-21(27)11-5-18)14-17-6-12-22(13-7-17)34-16-19-2-8-20(9-3-19)26(32)33/h2-14,32-33H,15-16H2,1H3/b23-14-
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n/an/a 6.70n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347724
PNG
(CHEMBL1802519)
Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/CC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H21BFNO5/c27-22-9-3-18(4-10-22)15-28-24(29)14-20(25(28)30)13-17-5-11-23(12-6-17)33-16-19-1-7-21(8-2-19)26(31)32/h1-13,31-32H,14-16H2/b20-13+
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n/an/a 7.30n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347716
PNG
(CHEMBL1802471)
Show SMILES OB(O)c1ccc(CNc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C24H20BFN2O4S/c26-20-9-3-18(4-10-20)15-28-23(29)22(33-24(28)30)13-16-5-11-21(12-6-16)27-14-17-1-7-19(8-2-17)25(31)32/h1-13,27,31-32H,14-15H2/b22-13-
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n/an/a 8.30n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347715
PNG
(CHEMBL1802470)
Show SMILES OB(O)c1ccc(cc1)C(=O)Nc1ccc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1
Show InChI InChI=1S/C24H18BFN2O5S/c26-19-9-1-16(2-10-19)14-28-23(30)21(34-24(28)31)13-15-3-11-20(12-4-15)27-22(29)17-5-7-18(8-6-17)25(32)33/h1-13,32-33H,14H2,(H,27,29)/b21-13-
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n/an/a 10n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347718
PNG
(CHEMBL1802473)
Show SMILES OB(O)c1ccc(COc2ccc(Cc3sc(=O)n(Cc4ccc(F)cc4)c3O)cc2)cc1
Show InChI InChI=1S/C24H21BFNO5S/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/h1-12,28,30-31H,13-15H2
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n/an/a 25n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347721
PNG
(CHEMBL1802516)
Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C24H20BFN2O5/c26-20-9-3-17(4-10-20)14-28-23(29)22(27-24(28)30)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(31)32/h1-13,31-32H,14-15H2,(H,27,30)/b22-13-
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n/an/a 26n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347725
PNG
(CHEMBL1802520 | CHEMBL1802521)
Show SMILES OB(O)c1ccc(COc2ccc3Cc4c(O)n(Cc5ccc(F)cc5)c(=O)n4Cc3c2)cc1
Show InChI InChI=1S/C25H22BFN2O5/c27-21-8-3-16(4-9-21)13-29-24(30)23-12-18-5-10-22(11-19(18)14-28(23)25(29)31)34-15-17-1-6-20(7-2-17)26(32)33/h1-11,30,32-33H,12-15H2
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n/an/a 55n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347725
PNG
(CHEMBL1802520 | CHEMBL1802521)
Show SMILES OB(O)c1ccc(COc2ccc3Cc4c(O)n(Cc5ccc(F)cc5)c(=O)n4Cc3c2)cc1
Show InChI InChI=1S/C25H22BFN2O5/c27-21-8-3-16(4-9-21)13-29-24(30)23-12-18-5-10-22(11-19(18)14-28(23)25(29)31)34-15-17-1-6-20(7-2-17)26(32)33/h1-11,30,32-33H,12-15H2
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n/an/a 59n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347714
PNG
(CHEMBL1802469)
Show SMILES OB(O)c1ccc(CNC(=O)c2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H20BFN2O5S/c27-21-11-5-18(6-12-21)15-29-24(31)22(35-25(29)32)13-16-1-7-19(8-2-16)23(30)28-14-17-3-9-20(10-4-17)26(33)34/h1-13,33-34H,14-15H2,(H,28,30)/b22-13-
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n/an/a 71n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347713
PNG
(CHEMBL1802468)
Show SMILES OB(O)c1ccc(NC(=O)c2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C24H18BFN2O5S/c26-19-9-3-16(4-10-19)14-28-23(30)21(34-24(28)31)13-15-1-5-17(6-2-15)22(29)27-20-11-7-18(8-12-20)25(32)33/h1-13,32-33H,14H2,(H,27,29)/b21-13-
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n/an/a 147n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347720
PNG
(CHEMBL1802475)
Show SMILES OB(O)c1ccc(COc2ccc(Cc3cn(Cc4ccc(F)cc4)c(=O)s3)cc2)cc1
Show InChI InChI=1S/C24H21BFNO4S/c26-21-9-3-18(4-10-21)14-27-15-23(32-24(27)28)13-17-5-11-22(12-6-17)31-16-19-1-7-20(8-2-19)25(29)30/h1-12,15,29-30H,13-14,16H2
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n/an/a 683n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347719
PNG
(CHEMBL1802474)
Show SMILES OB(O)c1ccc(COc2ccc(CC3SC(=O)N(Cc4ccc(F)cc4)C3O)cc2)cc1
Show InChI InChI=1S/C24H23BFNO5S/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/h1-12,22-23,28,30-31H,13-15H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50347717
PNG
(CHEMBL1802472)
Show SMILES OB(O)c1ccc(\C=C\c2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H19BFNO4S/c27-22-13-9-20(10-14-22)16-28-24(29)23(33-25(28)30)15-19-5-3-17(4-6-19)1-2-18-7-11-21(12-8-18)26(31)32/h1-15,31-32H,16H2/b2-1+,23-15-
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n/an/a>5.00E+3n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substr...


J Med Chem 54: 4619-26 (2011)


Article DOI: 10.1021/jm200310q
BindingDB Entry DOI: 10.7270/Q2GT5NJ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%