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Compile Data Set for Download or QSAR

Found 844 hits of ic50 data for polymerid = 5705,5706,7135   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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n/an/a 0.0100n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of human ATX using FS3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assay


J Med Chem 59: 5604-21 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01599
BindingDB Entry DOI: 10.7270/Q2BZ681D
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300212
PNG
(2-(4-{[(3-Trifluoromethylphenyl)amino]carbonothioy...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-6-8-31(9-7-30)21(35)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-12H,2,6-9H2,1H3,(H,27,35)(H,33,34)
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n/an/a 0.900n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303779
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES S.Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCC5(COC5)C4)cc3)s2)cc1
Show InChI InChI=1S/C28H30ClN5O3S.H2S/c29-22-6-1-19(2-7-22)5-10-24-31-32-27(38-24)30-26(36)21-13-25(35)34(15-21)23-8-3-20(4-9-23)14-33-12-11-28(16-33)17-37-18-28;/h1-4,6-9,21H,5,10-18H2,(H,30,32,36);1H2/t21-;/m0./s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258581
PNG
(US9493486, 12.43)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4[nH]nnc4C3)CC2)cc1
Show InChI InChI=1S/C23H26F3N5O4/c24-23(25,26)35-17-4-1-15(2-5-17)12-34-21(33)30-9-7-22(8-10-30)13-31(14-22)20(32)16-3-6-18-19(11-16)28-29-27-18/h1-2,4-5,16H,3,6-14H2,(H,27,28,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303657
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1)C1CCOC1
Show InChI InChI=1S/C27H30ClN5O3S/c1-32(23-12-13-36-17-23)15-19-4-9-22(10-5-19)33-16-20(14-25(33)34)26(35)29-27-31-30-24(37-27)11-6-18-2-7-21(28)8-3-18/h2-5,7-10,20,23H,6,11-17H2,1H3,(H,29,31,35)/t20-,23?/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303658
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1)C1COC1
Show InChI InChI=1S/C26H28ClN5O3S/c1-31(22-15-35-16-22)13-18-4-9-21(10-5-18)32-14-19(12-24(32)33)25(34)28-26-30-29-23(36-26)11-6-17-2-7-20(27)8-3-17/h2-5,7-10,19,22H,6,11-16H2,1H3,(H,28,30,34)/t19-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303659
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C26H28ClN5O3S/c27-21-6-1-18(2-7-21)5-10-23-29-30-26(36-23)28-25(34)20-15-24(33)32(17-20)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,20H,5,10-17H2,(H,28,30,34)/t20-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303660
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1)C1CCOCC1
Show InChI InChI=1S/C28H32ClN5O3S/c1-33(23-12-14-37-15-13-23)17-20-4-9-24(10-5-20)34-18-21(16-26(34)35)27(36)30-28-32-31-25(38-28)11-6-19-2-7-22(29)8-3-19/h2-5,7-10,21,23H,6,11-18H2,1H3,(H,30,32,36)/t21-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303661
PNG
((3S)-1-[4-(azepan-1- ylmethyl)phenyl]- N-[5-[2- (4...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCCCCC4)cc3)s2)cc1
Show InChI InChI=1S/C28H32ClN5O2S/c29-23-10-5-20(6-11-23)9-14-25-31-32-28(37-25)30-27(36)22-17-26(35)34(19-22)24-12-7-21(8-13-24)18-33-15-3-1-2-4-16-33/h5-8,10-13,22H,1-4,9,14-19H2,(H,30,32,36)/t22-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303662
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES CC1CCN(Cc2ccc(cc2)N2C[C@H](CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)CC1
Show InChI InChI=1S/C28H32ClN5O2S/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36)/t22-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303663
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCCCC4)cc3)s2)cc1
Show InChI InChI=1S/C27H30ClN5O2S/c28-22-9-4-19(5-10-22)8-13-24-30-31-27(36-24)29-26(35)21-16-25(34)33(18-21)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,21H,1-3,8,13-18H2,(H,29,31,35)/t21-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303664
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES COCCN(C)Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C26H30ClN5O3S/c1-31(13-14-35-2)16-19-5-10-22(11-6-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(36-26)12-7-18-3-8-21(27)9-4-18/h3-6,8-11,20H,7,12-17H2,1-2H3,(H,28,30,34)/t20-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303698
PNG
(5-[2-(4- chlorophenyl)ethyl]-N-[1- [4-(morpholino-...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C26H28ClN5O3S/c27-20-6-1-18(2-7-20)5-10-23-29-30-26(36-23)25(34)28-21-15-24(33)32(17-21)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,21H,5,10-17H2,(H,28,34)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303716
PNG
((3S)-N-[5-[2-(4- chlorophenyyl) ethyl]isoxazol- 3-...)
Show SMILES Clc1ccc(CCc2cc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCCCC4)cc3)no2)cc1
Show InChI InChI=1S/C28H31ClN4O3/c29-23-9-4-20(5-10-23)8-13-25-17-26(31-36-25)30-28(35)22-16-27(34)33(19-22)24-11-6-21(7-12-24)18-32-14-2-1-3-15-32/h4-7,9-12,17,22H,1-3,8,13-16,18-19H2,(H,30,31,35)/t22-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50187688
PNG
(CHEMBL3828650)
Show SMILES NS(=O)(=O)c1ccc(cc1F)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged ATX expressed in HEK293E cells using lysophosphatidylcholine as substrate preincubated with enz...


J Med Chem 59: 5604-21 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01599
BindingDB Entry DOI: 10.7270/Q2BZ681D
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303780
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES S.Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CC5(COC5)C4)cc3)s2)cc1
Show InChI InChI=1S/C27H28ClN5O3S.H2S/c28-21-6-1-18(2-7-21)5-10-23-30-31-26(37-23)29-25(35)20-11-24(34)33(13-20)22-8-3-19(4-9-22)12-32-14-27(15-32)16-36-17-27;/h1-4,6-9,20H,5,10-17H2,(H,29,31,35);1H2/t20-;/m0./s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50200622
PNG
(CHEMBL3917975)
Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1
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Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Autotaxin


(Homo sapiens (Human))
BDBM258590
PNG
(US9493486, 15B)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C23H25F4N5O4/c24-17-10-16(36-23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)/t14-/m1/s1
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258585
PNG
(US9493486, 13.01)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C22H24F4N6O4/c23-16-9-15(36-22(24,25)26)2-1-14(16)11-35-20(34)30-7-4-21(5-8-30)12-32(13-21)19(33)31-6-3-17-18(10-31)28-29-27-17/h1-2,9H,3-8,10-13H2,(H,27,28,29)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258501
PNG
(US9493486, 1.23)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1F
Show InChI InChI=1S/C23H23F4N3O6S/c24-19-11-17(36-23(25,26)27)4-1-16(19)12-35-21(32)29-9-7-22(8-10-29)13-30(14-22)20(31)15-2-5-18(6-3-15)37(28,33)34/h1-6,11H,7-10,12-14H2,(H2,28,33,34)
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n/an/a 1n/an/an/an/a8.030



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258574
PNG
(US9493486, 12.36)
Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N5O3/c24-17-10-16(23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)
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n/an/a 1n/an/an/an/a8.030



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258575
PNG
(US9493486, 12.37)
Show SMILES Cc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C24H28F3N5O4/c1-15-10-18(36-24(25,26)27)4-2-17(15)12-35-22(34)31-8-6-23(7-9-31)13-32(14-23)21(33)16-3-5-19-20(11-16)29-30-28-19/h2,4,10,16H,3,5-9,11-14H2,1H3,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258580
PNG
(US9493486, 12.42)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C23H25F4N5O4/c24-17-10-16(36-23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)
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Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300209
PNG
(2-(4-{[(2,5-Dichlorophenyl)amino]carbonothioyl}-1-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-14(19(31)32)17(30)13-10-24-20(26-18(13)27)28-5-7-29(8-6-28)21(33)25-16-9-12(22)3-4-15(16)23/h3-4,9-11H,2,5-8H2,1H3,(H,25,33)(H,31,32)
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n/an/a 1.30n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300208
PNG
(2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-7-9-31(10-8-30)21(35)27-14-5-3-13(4-6-14)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34)
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The University of Memphis

Curated by ChEMBL


Assay Description
Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300220
PNG
(2-(4-{[(3-Iodophenyl)amino]carbonothioyl}-1-pipera...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(I)c1
Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)
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n/an/a 1.60n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300214
PNG
(2-(4-((3,5-dichlorophenyl)carbamothioyl)piperazin-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-16(19(31)32)17(30)15-10-24-20(26-18(15)27)28-3-5-29(6-4-28)21(33)25-14-8-12(22)7-13(23)9-14/h7-11H,2-6H2,1H3,(H,25,33)(H,31,32)
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The University of Memphis

Curated by ChEMBL


Assay Description
Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM204931
PNG
(Example 1 | [2-(indan-2-ylamino)-7,8-dihydro-5H-py...)
Show SMILES O=C(N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1cnn(Cc2c[nH]nn2)c1
Show InChI InChI=1S/C23H23N9O/c33-22(18-10-26-32(13-18)14-20-11-25-30-29-20)31-6-5-21-17(12-31)9-24-23(28-21)27-19-7-15-3-1-2-4-16(15)8-19/h1-4,9-11,13,19H,5-8,12,14H2,(H,24,27,28)(H,25,29,30)
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n/an/a<1.70n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The purpose of this assay is to detect autotaxin inhibition using a choline release assay.Test compound (10 mM stocks in 100% DMSO) is serially dilut...


US Patent US9550774 (2017)


BindingDB Entry DOI: 10.7270/Q23N21KW
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50187689
PNG
(CHEMBL3827513 | Example 9)
Show SMILES O=C(N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1cc(ccn1)-c1cnn[nH]1
Show InChI InChI=1S/C24H22N8O/c33-23(21-11-17(5-7-25-21)22-13-27-31-30-22)32-8-6-20-18(14-32)12-26-24(29-20)28-19-9-15-3-1-2-4-16(15)10-19/h1-5,7,11-13,19H,6,8-10,14H2,(H,26,28,29)(H,27,30,31)
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University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged ATX expressed in HEK293E cells using lysophosphatidylcholine as substrate preincubated with enz...


J Med Chem 59: 5604-21 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01599
BindingDB Entry DOI: 10.7270/Q2BZ681D
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50187689
PNG
(CHEMBL3827513 | Example 9)
Show SMILES O=C(N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1cc(ccn1)-c1cnn[nH]1
Show InChI InChI=1S/C24H22N8O/c33-23(21-11-17(5-7-25-21)22-13-27-31-30-22)32-8-6-20-18(14-32)12-26-24(29-20)28-19-9-15-3-1-2-4-16(15)10-19/h1-5,7,11-13,19H,6,8-10,14H2,(H,26,28,29)(H,27,30,31)
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Eli Lilly and Company

US Patent


Assay Description
The purpose of this assay is to detect autotaxin inhibition using a choline release assay.Test compound (10 mM stocks in 100% DMSO) is serially dilut...


US Patent US9550774 (2017)


BindingDB Entry DOI: 10.7270/Q23N21KW
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303722
PNG
((3S)-N-[5-[2-(4- chlorophenyl)ethyl] isoxazol-3-yl...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1cc(CCc2ccc(Cl)cc2)on1)C1CCOC1
Show InChI InChI=1S/C28H31ClN4O4/c1-32(24-12-13-36-18-24)16-20-4-9-23(10-5-20)33-17-21(14-27(33)34)28(35)30-26-15-25(37-31-26)11-6-19-2-7-22(29)8-3-19/h2-5,7-10,15,21,24H,6,11-14,16-18H2,1H3,(H,30,31,35)/t21-,24?/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241106
PNG
(US9409895, 17)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303665
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CC1CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)CC1
Show InChI InChI=1S/C28H32ClN5O2S/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303666
PNG
(N-[5-(2-cyclohexylethyl)- 1,3,4-thiadiazol-2-yl]-1...)
Show SMILES O=C(Nc1nnc(CCC2CCCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCCOCC2)cc1
Show InChI InChI=1S/C27H37N5O3S/c33-25-17-22(26(34)28-27-30-29-24(36-27)12-9-20-5-2-1-3-6-20)19-32(25)23-10-7-21(8-11-23)18-31-13-4-15-35-16-14-31/h7-8,10-11,20,22H,1-6,9,12-19H2,(H,28,30,34)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303667
PNG
((3S)-1-[4- (morpholinomethyl) phenyl]-5-oxo-N-[5-[...)
Show SMILES FC(F)(F)c1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C27H28F3N5O3S/c28-27(29,30)21-6-1-18(2-7-21)5-10-23-32-33-26(39-23)31-25(37)20-15-24(36)35(17-20)22-8-3-19(4-9-22)16-34-11-13-38-14-12-34/h1-4,6-9,20H,5,10-17H2,(H,31,33,37)/t20-/m0/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303668
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CCN(CC)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C26H30ClN5O2S/c1-3-31(4-2)16-19-7-12-22(13-8-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(35-26)14-9-18-5-10-21(27)11-6-18/h5-8,10-13,20H,3-4,9,14-17H2,1-2H3,(H,28,30,34)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303669
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCCCC4)cc3)s2)cc1
Show InChI InChI=1S/C27H30ClN5O2S/c28-22-9-4-19(5-10-22)8-13-24-30-31-27(36-24)29-26(35)21-16-25(34)33(18-21)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,21H,1-3,8,13-18H2,(H,29,31,35)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303670
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES COCCN(C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C26H30ClN5O3S/c1-31(13-14-35-2)16-19-5-10-22(11-6-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(36-26)12-7-18-3-8-21(27)9-4-18/h3-6,8-11,20H,7,12-17H2,1-2H3,(H,28,30,34)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303699
PNG
(5-[2-(4- chlorophenyl)ethyl]-N-[1- [4-(1,4-oxazepa...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCCOCC3)cc2)cc1
Show InChI InChI=1S/C27H30ClN5O3S/c28-21-7-2-19(3-8-21)6-11-24-30-31-27(37-24)26(35)29-22-16-25(34)33(18-22)23-9-4-20(5-10-23)17-32-12-1-14-36-15-13-32/h2-5,7-10,22H,1,6,11-18H2,(H,29,35)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303700
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4- (morph...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)N[C@H]2CN(C(=O)C2)c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C26H28ClN5O3S/c27-20-6-1-18(2-7-20)5-10-23-29-30-26(36-23)25(34)28-21-15-24(33)32(17-21)22-8-3-19(4-9-22)16-31-11-13-35-14-12-31/h1-4,6-9,21H,5,10-17H2,(H,28,34)/t21-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303701
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4- (morph...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)N[C@@H]2CCN(C2)c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C26H30ClN5O2S/c27-21-6-1-19(2-7-21)5-10-24-29-30-26(35-24)25(33)28-22-11-12-32(18-22)23-8-3-20(4-9-23)17-31-13-15-34-16-14-31/h1-4,6-9,22H,5,10-18H2,(H,28,33)/t22-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303713
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-5-oxo-1-[4-(...)
Show SMILES Clc1ccc(CCc2cc(no2)C(=O)N[C@H]2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C28H31ClN4O3/c29-22-9-4-20(5-10-22)8-13-25-17-26(31-36-25)28(35)30-23-16-27(34)33(19-23)24-11-6-21(7-12-24)18-32-14-2-1-3-15-32/h4-7,9-12,17,23H,1-3,8,13-16,18-19H2,(H,30,35)/t23-/m1/s1
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303714
PNG
(5-[2-(4- chlorophenyl)ethyl]-N-[5- oxo-1-[4-(1- pi...)
Show SMILES Clc1ccc(CCc2cc(no2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C28H31ClN4O3/c29-22-9-4-20(5-10-22)8-13-25-17-26(31-36-25)28(35)30-23-16-27(34)33(19-23)24-11-6-21(7-12-24)18-32-14-2-1-3-15-32/h4-7,9-12,17,23H,1-3,8,13-16,18-19H2,(H,30,35)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303717
PNG
(N-[5-(2-cyclohexylethyl)- 1,3,4-thiadiazol-2-yl]-1...)
Show SMILES O=C(Nc1nnc(CCC2CCCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C26H35N5O3S/c32-24-16-21(18-31(24)22-9-6-20(7-10-22)17-30-12-14-34-15-13-30)25(33)27-26-29-28-23(35-26)11-8-19-4-2-1-3-5-19/h6-7,9-10,19,21H,1-5,8,11-18H2,(H,27,29,33)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM303723
PNG
(4-[[[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazo...)
Show SMILES Clc1ccc(CCc2nnc(NCC3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C26H30ClN5O2S/c27-22-6-1-19(2-7-22)5-10-24-29-30-26(35-24)28-16-21-15-25(33)32(18-21)23-8-3-20(4-9-23)17-31-11-13-34-14-12-31/h1-4,6-9,21H,5,10-18H2,(H,28,30)
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Cancer Research Technology Limited

US Patent


Assay Description
Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined a...


US Patent US10138230 (2018)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM258579
PNG
(US9493486, 12.41)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CC2(C1)CCN(CC2)C(=O)C1CCc2[nH]nnc2C1
Show InChI InChI=1S/C23H25F4N5O4/c24-17-10-16(36-23(25,26)27)3-1-15(17)11-35-21(34)32-12-22(13-32)5-7-31(8-6-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)
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n/an/a 2n/an/an/an/a8.030



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50200572
PNG
(CHEMBL3889955)
Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF3N4O/c1-16(18-6-10-20(26)11-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-8-19(9-5-17)25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1
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Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50200569
PNG
(CHEMBL3946146)
Show SMILES C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClF2N4O2/c1-16(18-6-8-19(26)9-7-18)30-23(33)13-12-22-31-21-3-2-14-29-24(21)32(22)15-17-4-10-20(11-5-17)34-25(27)28/h2-11,14,16,25H,12-13,15H2,1H3,(H,30,33)/t16-/m0/s1
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Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50200579
PNG
(CHEMBL3917466)
Show SMILES C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H20F4N4O2S/c1-15(17-6-8-18(25)9-7-17)30-21(33)14-35-23-31-20-3-2-12-29-22(20)32(23)13-16-4-10-19(11-5-16)34-24(26,27)28/h2-12,15H,13-14H2,1H3,(H,30,33)/t15-/m0/s1
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Babraham Research Campus

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...


Bioorg Med Chem Lett 26: 5403-5410 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.036
BindingDB Entry DOI: 10.7270/Q2DJ5HM1
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241106
PNG
(US9409895, 17)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)
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University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX expressed in HEK cells using oleoyl-lysophosphatidylcholine as substrate preincubated for 20 mins followed by sub...


J Med Chem 59: 5604-21 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01599
BindingDB Entry DOI: 10.7270/Q2BZ681D
More data for this
Ligand-Target Pair
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