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Patent code US10138230

Compile Data Set for Download or QSAR
Found 125 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))
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))
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))
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))
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))
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))
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

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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

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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

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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))
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))
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))
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

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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

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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
PDB

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Cancer Research Technology Limited

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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

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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)
PDB

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Cancer Research Technology Limited

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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)
PDB

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Cancer Research Technology Limited

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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

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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

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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
PDB

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Cancer Research Technology Limited

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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))
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)
PDB

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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)
PDB

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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
PDB

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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))
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
PDB

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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)
PDB

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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)
PDB

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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))
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
PDB

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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))
BDBM303675
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CNC4CCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C27H30ClN5O3S/c28-21-6-1-18(2-7-21)5-10-24-31-32-27(37-24)30-26(35)20-15-25(34)33(17-20)23-8-3-19(4-9-23)16-29-22-11-13-36-14-12-22/h1-4,6-9,20,22,29H,5,10-17H2,(H,30,32,35)
PDB

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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))
BDBM303704
PNG
(N-[1-[4-(azepan-1- ylmethyl)phenyl]-5-oxo- pyrroli...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCCCCC3)cc2)cc1
Show InChI InChI=1S/C28H32ClN5O2S/c29-22-10-5-20(6-11-22)9-14-25-31-32-28(37-25)27(36)30-23-17-26(35)34(19-23)24-12-7-21(8-13-24)18-33-15-3-1-2-4-16-33/h5-8,10-13,23H,1-4,9,14-19H2,(H,30,36)
PDB

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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))
BDBM303682
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CCN(CC(C)C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C28H34ClN5O2S/c1-4-33(16-19(2)3)17-21-7-12-24(13-8-21)34-18-22(15-26(34)35)27(36)30-28-32-31-25(37-28)14-9-20-5-10-23(29)11-6-20/h5-8,10-13,19,22H,4,9,14-18H2,1-3H3,(H,30,32,36)
PDB

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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))
BDBM303715
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3S)-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-/m0/s1
PDB

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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))
BDBM303702
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-5-oxo-1-[4-(...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)N[C@H]2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H30ClN5O2S/c28-21-9-4-19(5-10-21)8-13-24-30-31-27(36-24)26(35)29-22-16-25(34)33(18-22)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,22H,1-3,8,13-18H2,(H,29,35)/t22-/m1/s1
PDB

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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))
BDBM303703
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3S)-5-oxo-1-[4-(...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)N[C@H]2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H30ClN5O2S/c28-21-9-4-19(5-10-21)8-13-24-30-31-27(36-24)26(35)29-22-16-25(34)33(18-22)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,22H,1-3,8,13-18H2,(H,29,35)/t22-/m1/s1
PDB

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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))
BDBM303724
PNG
(N-[5-[(4- fluorophenyl)methyl- sulfanyl]-1,3,4- th...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C25H26FN5O3S2/c26-20-5-1-18(2-6-20)16-35-25-29-28-24(36-25)27-23(33)19-13-22(32)31(15-19)21-7-3-17(4-8-21)14-30-9-11-34-12-10-30/h1-8,19H,9-16H2,(H,27,28,33)
PDB

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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))
BDBM303672
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES OC1CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)CC1
Show InChI InChI=1S/C27H30ClN5O3S/c28-21-6-1-18(2-7-21)5-10-24-30-31-27(37-24)29-26(36)20-15-25(35)33(17-20)22-8-3-19(4-9-22)16-32-13-11-23(34)12-14-32/h1-4,6-9,20,23,34H,5,10-17H2,(H,29,31,36)
PDB

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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))
BDBM303782
PNG
(1-(4-Morpholin-4- ylmethyl-phenyl)-5-oxo- pyrrolid...)
PDB

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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))
BDBM303678
PNG
((3S)-N-[5-[2-(4- fluorophenyl)ethyl]- 1,3,4-thiadi...)
Show SMILES Fc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C26H28FN5O3S/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
PDB

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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))
BDBM303683
PNG
(N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...)
Show SMILES FC1CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCC3CCCC3)s2)CC1
Show InChI InChI=1S/C26H34FN5O2S/c27-21-11-13-31(14-12-21)16-19-5-8-22(9-6-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(35-26)10-7-18-3-1-2-4-18/h5-6,8-9,18,20-21H,1-4,7,10-17H2,(H,28,30,34)
PDB

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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))
BDBM303685
PNG
(N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...)
Show SMILES FC1(F)CCCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCC3CCCC3)s2)C1
Show InChI InChI=1S/C26H33F2N5O2S/c27-26(28)12-3-13-32(17-26)15-19-6-9-21(10-7-19)33-16-20(14-23(33)34)24(35)29-25-31-30-22(36-25)11-8-18-4-1-2-5-18/h6-7,9-10,18,20H,1-5,8,11-17H2,(H,29,31,35)
PDB

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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))
BDBM303705
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3S)-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-/m0/s1
PDB

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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))
BDBM303673
PNG
((3S)-1-[4-(3- azabicyclo[3.1.0]hexan- 3-ylmethyl)p...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CC5CC5C4)cc3)s2)cc1
Show InChI InChI=1S/C27H28ClN5O2S/c28-22-6-1-17(2-7-22)5-10-24-30-31-27(36-24)29-26(35)21-12-25(34)33(16-21)23-8-3-18(4-9-23)13-32-14-19-11-20(19)15-32/h1-4,6-9,19-21H,5,10-16H2,(H,29,31,35)/t19?,20?,21-/m0/s1
PDB

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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))
BDBM303674
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(CN4CCCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C27H30ClN5O3S/c28-22-7-2-19(3-8-22)6-11-24-30-31-27(37-24)29-26(35)21-16-25(34)33(18-21)23-9-4-20(5-10-23)17-32-12-1-14-36-15-13-32/h2-5,7-10,21H,1,6,11-18H2,(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))
BDBM303676
PNG
(N-[5-(2-cyclohexylethyl)- 1,3,4-thiadiazol-2-yl]-5...)
Show SMILES O=C(Nc1nnc(CCC2CCCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C27H37N5O2S/c33-25-17-22(19-32(25)23-12-9-21(10-13-23)18-31-15-5-2-6-16-31)26(34)28-27-30-29-24(35-27)14-11-20-7-3-1-4-8-20/h9-10,12-13,20,22H,1-8,11,14-19H2,(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))
BDBM303679
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CCCN(C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C26H30ClN5O2S/c1-3-14-31(2)16-19-6-11-22(12-7-19)32-17-20(15-24(32)33)25(34)28-26-30-29-23(35-26)13-8-18-4-9-21(27)10-5-18/h4-7,9-12,20H,3,8,13-17H2,1-2H3,(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))
BDBM303681
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CN(Cc1ccc(cc1)N1CC(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)
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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))
BDBM303684
PNG
(1-[4-(azepan-1- ylmethyl)phenyl]- N-[5-[2- (4-chlo...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(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)
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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))
BDBM303686
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CCCN(CCC)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C28H34ClN5O2S/c1-3-15-33(16-4-2)18-21-7-12-24(13-8-21)34-19-22(17-26(34)35)27(36)30-28-32-31-25(37-28)14-9-20-5-10-23(29)11-6-20/h5-8,10-13,22H,3-4,9,14-19H2,1-2H3,(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))
BDBM303671
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C27H30ClN5O3S/c28-22-7-2-19(3-8-22)6-11-24-30-31-27(37-24)29-26(35)21-16-25(34)33(18-21)23-9-4-20(5-10-23)17-32-12-1-14-36-15-13-32/h2-5,7-10,21H,1,6,11-18H2,(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))
BDBM303677
PNG
(N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...)
Show SMILES O=C(Nc1nnc(CCC2CCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C25H33N5O3S/c31-23-15-20(24(32)26-25-28-27-22(34-25)10-7-18-3-1-2-4-18)17-30(23)21-8-5-19(6-9-21)16-29-11-13-33-14-12-29/h5-6,8-9,18,20H,1-4,7,10-17H2,(H,26,28,32)
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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))
BDBM303680
PNG
(1-[4-(3- azabicyclo[3.1.0]hexan- 3-ylmethyl)phenyl...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CC5CC5C4)cc3)s2)cc1
Show InChI InChI=1S/C27H28ClN5O2S/c28-22-6-1-17(2-7-22)5-10-24-30-31-27(36-24)29-26(35)21-12-25(34)33(16-21)23-8-3-18(4-9-23)13-32-14-19-11-20(19)15-32/h1-4,6-9,19-21H,5,10-16H2,(H,29,31,35)
PDB

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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))
BDBM303692
PNG
(N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...)
Show SMILES O=C(Nc1ncc(CCC2CCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCCOCC2)cc1
Show InChI InChI=1S/C27H36N4O3S/c32-25-16-22(26(33)29-27-28-17-24(35-27)11-8-20-4-1-2-5-20)19-31(25)23-9-6-21(7-10-23)18-30-12-3-14-34-15-13-30/h6-7,9-10,17,20,22H,1-5,8,11-16,18-19H2,(H,28,29,33)
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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))
BDBM303689
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)C[C@@H](C)O1
Show InChI InChI=1S/C28H32ClN5O3S/c1-18-14-33(15-19(2)37-18)16-21-5-10-24(11-6-21)34-17-22(13-26(34)35)27(36)30-28-32-31-25(38-28)12-7-20-3-8-23(29)9-4-20/h3-6,8-11,18-19,22H,7,12-17H2,1-2H3,(H,30,32,36)/t18-,19+,22?
PDB

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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))
BDBM303690
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CCCN(CC)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C27H32ClN5O2S/c1-3-15-32(4-2)17-20-7-12-23(13-8-20)33-18-21(16-25(33)34)26(35)29-27-31-30-24(36-27)14-9-19-5-10-22(28)11-6-19/h5-8,10-13,21H,3-4,9,14-18H2,1-2H3,(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))
BDBM303691
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(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)
PDB

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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))
BDBM303706
PNG
(5-[2-(4- chlorophenyl)ethyl]-N-[1- [4-[(4-methyl-1...)
Show SMILES CC1CCN(Cc2ccc(cc2)N2CC(CC2=O)NC(=O)c2nnc(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)34-18-23(16-26(34)35)30-27(36)28-32-31-25(37-28)11-6-20-2-7-22(29)8-3-20/h2-5,7-10,19,23H,6,11-18H2,1H3,(H,30,36)
PDB

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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))
BDBM303707
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3S)-1-[4-[(4-met...)
Show SMILES CC1CCN(Cc2ccc(cc2)N2C[C@H](CC2=O)NC(=O)c2nnc(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)34-18-23(16-26(34)35)30-27(36)28-32-31-25(37-28)11-6-20-2-7-22(29)8-3-20/h2-5,7-10,19,23H,6,11-18H2,1H3,(H,30,36)/t23-/m0/s1
PDB

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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))
BDBM303687
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CN1CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)CC1
Show InChI InChI=1S/C27H31ClN6O2S/c1-32-12-14-33(15-13-32)17-20-4-9-23(10-5-20)34-18-21(16-25(34)35)26(36)29-27-31-30-24(37-27)11-6-19-2-7-22(28)8-3-19/h2-5,7-10,21H,6,11-18H2,1H3,(H,29,31,36)
PDB

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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))
BDBM303688
PNG
(1-[4- (morpholinomethyl) phenyl]-5-oxo- N-[5-(2- p...)
Show SMILES O=C(Nc1ncc(CCc2ccccc2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C27H30N4O3S/c32-25-16-22(19-31(25)23-9-6-21(7-10-23)18-30-12-14-34-15-13-30)26(33)29-27-28-17-24(35-27)11-8-20-4-2-1-3-5-20/h1-7,9-10,17,22H,8,11-16,18-19H2,(H,28,29,33)
PDB

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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))
BDBM303708
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4-[(4-met...)
Show SMILES CC1CCN(Cc2ccc(cc2)N2C[C@@H](CC2=O)NC(=O)c2nnc(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)34-18-23(16-26(34)35)30-27(36)28-32-31-25(37-28)11-6-20-2-7-22(29)8-3-20/h2-5,7-10,19,23H,6,11-18H2,1H3,(H,30,36)/t23-/m1/s1
PDB

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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))
BDBM303694
PNG
(N-[3-[2-(4- chlorophenyl)ethyl]-1H- pyrazol-5-yl]-...)
Show SMILES Clc1ccc(CCc2cc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)n[nH]2)cc1
Show InChI InChI=1S/C27H30ClN5O3/c28-22-6-1-19(2-7-22)3-8-23-16-25(31-30-23)29-27(35)21-15-26(34)33(18-21)24-9-4-20(5-10-24)17-32-11-13-36-14-12-32/h1-2,4-7,9-10,16,21H,3,8,11-15,17-18H2,(H2,29,30,31,35)
PDB

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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))
BDBM303709
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [5-oxo-1-[4-(1- pi...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H30ClN5O2S/c28-21-9-4-19(5-10-21)8-13-24-30-31-27(36-24)26(35)29-22-16-25(34)33(18-22)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,22H,1-3,8,13-18H2,(H,29,35)
PDB

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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))
BDBM303710
PNG
(N-[1-[4-(3- azabicyclo[3.1.0]hexan- 3-ylmethyl)phe...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CC4CC4C3)cc2)cc1
Show InChI InChI=1S/C27H28ClN5O2S/c28-21-6-1-17(2-7-21)5-10-24-30-31-27(36-24)26(35)29-22-12-25(34)33(16-22)23-8-3-18(4-9-23)13-32-14-19-11-20(19)15-32/h1-4,6-9,19-20,22H,5,10-16H2,(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))
BDBM303693
PNG
(N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCC3CCCC3)s2)CC1
Show InChI InChI=1S/C26H33F2N5O2S/c27-26(28)11-13-32(14-12-26)16-19-5-8-21(9-6-19)33-17-20(15-23(33)34)24(35)29-25-31-30-22(36-25)10-7-18-3-1-2-4-18/h5-6,8-9,18,20H,1-4,7,10-17H2,(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))
BDBM303718
PNG
((3S)-N-[6-[2-(4- fluorophenyl)ethyl] pyridazin-3-y...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccc(CCc2ccc(F)cc2)nn1)C1CCOC1
Show InChI InChI=1S/C29H32FN5O3/c1-34(26-14-15-38-19-26)17-21-5-11-25(12-6-21)35-18-22(16-28(35)36)29(37)31-27-13-10-24(32-33-27)9-4-20-2-7-23(30)8-3-20/h2-3,5-8,10-13,22,26H,4,9,14-19H2,1H3,(H,31,33,37)/t22-,26?/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))
BDBM303719
PNG
(N-[6-[2-(4- fluorophenyl)ethyl] pyridazin-3-yl]-1-...)
Show SMILES Fc1ccc(CCc2ccc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)nn2)cc1
Show InChI InChI=1S/C28H30FN5O3/c29-23-6-1-20(2-7-23)3-8-24-9-12-26(32-31-24)30-28(36)22-17-27(35)34(19-22)25-10-4-21(5-11-25)18-33-13-15-37-16-14-33/h1-2,4-7,9-12,22H,3,8,13-19H2,(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))
BDBM303711
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-5-oxo-1-[4-[...)
Show SMILES Clc1ccc(CCc2nnc(s2)C(=O)N[C@H]2CN(C(=O)C2)c2ccc(CN3CCNC(=O)C3)cc2)cc1
Show InChI InChI=1S/C26H27ClN6O3S/c27-19-6-1-17(2-7-19)5-10-23-30-31-26(37-23)25(36)29-20-13-24(35)33(15-20)21-8-3-18(4-9-21)14-32-12-11-28-22(34)16-32/h1-4,6-9,20H,5,10-16H2,(H,28,34)(H,29,36)/t20-/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))
BDBM303720
PNG
(N-[5-[2-(4- methoxyphenyl)ethyl]- 1,3,4-thiadiazol...)
Show SMILES COc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C27H31N5O4S/c1-35-23-9-4-19(5-10-23)6-11-24-29-30-27(37-24)28-26(34)21-16-25(33)32(18-21)22-7-2-20(3-8-22)17-31-12-14-36-15-13-31/h2-5,7-10,21H,6,11-18H2,1H3,(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))
BDBM303695
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)C[C@@H](C)O1
Show InChI InChI=1S/C28H32ClN5O3S/c1-18-14-33(15-19(2)37-18)16-21-5-10-24(11-6-21)34-17-22(13-26(34)35)27(36)30-28-32-31-25(38-28)12-7-20-3-8-23(29)9-4-20/h3-6,8-11,18-19,22H,7,12-17H2,1-2H3,(H,30,32,36)/t18-,19+,22?
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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))
BDBM303696
PNG
((3S)-N-[6-[2-(4- fluorophenyl)ethyl] pyridazin- 3-...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccc(CCc2ccc(F)cc2)nn1)C1CCOCC1
Show InChI InChI=1S/C30H34FN5O3/c1-35(26-14-16-39-17-15-26)19-22-5-11-27(12-6-22)36-20-23(18-29(36)37)30(38)32-28-13-10-25(33-34-28)9-4-21-2-7-24(31)8-3-21/h2-3,5-8,10-13,23,26H,4,9,14-20H2,1H3,(H,32,34,38)/t23-/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))
BDBM303712
PNG
(5-[2-(4- chlorophenyl)ethyl]-N-[1- [4-[[2- methoxy...)
Show SMILES COCCN(C)Cc1ccc(cc1)N1CC(CC1=O)NC(=O)c1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C26H30ClN5O3S/c1-31(13-14-35-2)16-19-5-10-22(11-6-19)32-17-21(15-24(32)33)28-25(34)26-30-29-23(36-26)12-7-18-3-8-20(27)9-4-18/h3-6,8-11,21H,7,12-17H2,1-2H3,(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))
BDBM303721
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCCC4)cc3)s2)cc1
Show InChI InChI=1S/C26H28ClN5O2S/c27-21-8-3-18(4-9-21)7-12-23-29-30-26(35-23)28-25(34)20-15-24(33)32(17-20)22-10-5-19(6-11-22)16-31-13-1-2-14-31/h3-6,8-11,20H,1-2,7,12-17H2,(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))
BDBM303778
PNG
(1-{4-[(Ethyl-methyl- amino)-methyl]-phenyl}- 5-oxo...)
Show SMILES CCN(C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C25H28ClN5O2S/c1-3-30(2)15-18-6-11-21(12-7-18)31-16-19(14-23(31)32)24(33)27-25-29-28-22(34-25)13-8-17-4-9-20(26)10-5-17/h4-7,9-12,19H,3,8,13-16H2,1-2H3,(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))
BDBM303697
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CCN(Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1)C(C)C
Show InChI InChI=1S/C27H32ClN5O2S/c1-4-32(18(2)3)16-20-7-12-23(13-8-20)33-17-21(15-25(33)34)26(35)29-27-31-30-24(36-27)14-9-19-5-10-22(28)11-6-19/h5-8,10-13,18,21H,4,9,14-17H2,1-3H3,(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))
BDBM303750
PNG
((3S)-N-[6-[2-(4- fluorophenyl)ethyl] pyridazin- 3-...)
Show SMILES Fc1ccc(CCc2ccc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)nn2)cc1
Show InChI InChI=1S/C28H30FN5O3/c29-23-6-1-20(2-7-23)3-8-24-9-12-26(32-31-24)30-28(36)22-17-27(35)34(19-22)25-10-4-21(5-11-25)18-33-13-15-37-16-14-33/h1-2,4-7,9-12,22H,3,8,13-19H2,(H,30,32,36)/t22-/m0/s1
PDB

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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))
BDBM303725
PNG
((3S)-N-[6-[2-(4- fluorophenyl)ethyl] pyridazin-3-y...)
Show SMILES CN(Cc1ccc(cc1)N1C[C@H](CC1=O)C(=O)Nc1ccc(CCc2ccc(F)cc2)nn1)C1COC1
Show InChI InChI=1S/C28H30FN5O3/c1-33(25-17-37-18-25)15-20-5-11-24(12-6-20)34-16-21(14-27(34)35)28(36)30-26-13-10-23(31-32-26)9-4-19-2-7-22(29)8-3-19/h2-3,5-8,10-13,21,25H,4,9,14-18H2,1H3,(H,30,32,36)/t21-/m0/s1
PDB

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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))
BDBM303746
PNG
(1-[4- (morpholinomethyl) phenyl]-5- oxo-N-[5-(2- p...)
Show SMILES O=C(Nc1nnc(CCc2ccccc2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C26H29N5O3S/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/h1-7,9-10,21H,8,11-18H2,(H,27,29,33)
PDB

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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))
BDBM303751
PNG
(N-[5-(3-methylpentyl)- 1,3,4-thiadiazol-2-yl]-1- [...)
Show SMILES CCC(C)CCc1nnc(NC(=O)C2CN(C(=O)C2)c2ccc(CN3CCOCC3)cc2)s1
Show InChI InChI=1S/C24H33N5O3S/c1-3-17(2)4-9-21-26-27-24(33-21)25-23(31)19-14-22(30)29(16-19)20-7-5-18(6-8-20)15-28-10-12-32-13-11-28/h5-8,17,19H,3-4,9-16H2,1-2H3,(H,25,27,31)
PDB

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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))
BDBM303726
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCCNCC4)cc3)s2)cc1
Show InChI InChI=1S/C27H31ClN6O2S/c28-22-7-2-19(3-8-22)6-11-24-31-32-27(37-24)30-26(36)21-16-25(35)34(18-21)23-9-4-20(5-10-23)17-33-14-1-12-29-13-15-33/h2-5,7-10,21,29H,1,6,11-18H2,(H,30,32,36)
PDB

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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))
BDBM303727
PNG
(US10138230, Example F157 | tert-butyl 4-[[4-[4-[[5...)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)N2CC(CC2=O)C(=O)Nc2nnc(CCc3ccc(Cl)cc3)s2)CC1
Show InChI InChI=1S/C31H37ClN6O4S/c1-31(2,3)42-30(41)37-16-14-36(15-17-37)19-22-6-11-25(12-7-22)38-20-23(18-27(38)39)28(40)33-29-35-34-26(43-29)13-8-21-4-9-24(32)10-5-21/h4-7,9-12,23H,8,13-20H2,1-3H3,(H,33,35,40)
PDB

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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))
BDBM303737
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3S)-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-/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))
BDBM303736
PNG
(N-[5-(2- cyclopentylethyl)-1,3,4- thiadiazol-2-yl]...)
Show SMILES O=C(Nc1nnc(CCC2CCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N5O2S/c32-24-16-21(25(33)27-26-29-28-23(34-26)13-10-19-6-2-3-7-19)18-31(24)22-11-8-20(9-12-22)17-30-14-4-1-5-15-30/h8-9,11-12,19,21H,1-7,10,13-18H2,(H,27,29,33)
PDB

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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))
BDBM303728
PNG
(1-[4- (morpholinomethyl) phenyl]-5-oxo-N- [5-(2- p...)
Show SMILES O=C(Nc1cc(CCc2ccccc2)on1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C27H30N4O4/c32-26-16-22(19-31(26)23-9-6-21(7-10-23)18-30-12-14-34-15-13-30)27(33)28-25-17-24(35-29-25)11-8-20-4-2-1-3-5-20/h1-7,9-10,17,22H,8,11-16,18-19H2,(H,28,29,33)
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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))
BDBM303738
PNG
(5-[2-(4- fluorophenyl)ethyl]-N- [5-oxo-1-[4-(1- pi...)
Show SMILES Fc1ccc(CCc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H30FN5O2S/c28-21-9-4-19(5-10-21)8-13-24-30-31-27(36-24)26(35)29-22-16-25(34)33(18-22)23-11-6-20(7-12-23)17-32-14-2-1-3-15-32/h4-7,9-12,22H,1-3,8,13-18H2,(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))
BDBM303729
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CC(C)N(C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C26H30ClN5O2S/c1-17(2)31(3)15-19-6-11-22(12-7-19)32-16-20(14-24(32)33)25(34)28-26-30-29-23(35-26)13-8-18-4-9-21(27)10-5-18/h4-7,9-12,17,20H,8,13-16H2,1-3H3,(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))
BDBM303752
PNG
(N-[5-(3-methylpentyl)- 1,3,4-thiadiazol-2-yl]-5- o...)
Show SMILES CCC(C)CCc1nnc(NC(=O)C2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)s1
Show InChI InChI=1S/C25H35N5O2S/c1-3-18(2)7-12-22-27-28-25(33-22)26-24(32)20-15-23(31)30(17-20)21-10-8-19(9-11-21)16-29-13-5-4-6-14-29/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,26,28,32)
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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))
BDBM303739
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4-[(4-hyd...)
Show SMILES CC1(O)CCN(Cc2ccc(cc2)N2C[C@@H](CC2=O)NC(=O)c2nnc(CCc3ccc(Cl)cc3)s2)CC1
Show InChI InChI=1S/C28H32ClN5O3S/c1-28(37)12-14-33(15-13-28)17-20-4-9-23(10-5-20)34-18-22(16-25(34)35)30-26(36)27-32-31-24(38-27)11-6-19-2-7-21(29)8-3-19/h2-5,7-10,22,37H,6,11-18H2,1H3,(H,30,36)/t22-/m1/s1
PDB

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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))
BDBM303753
PNG
(4-[[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol...)
Show SMILES Clc1ccc(CCc2nnc(CNC3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)s2)cc1
Show InChI InChI=1S/C26H30ClN5O2S/c27-21-6-1-19(2-7-21)5-10-24-29-30-25(35-24)16-28-22-15-26(33)32(18-22)23-8-3-20(4-9-23)17-31-11-13-34-14-12-31/h1-4,6-9,22,28H,5,10-18H2
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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))
BDBM303730
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES Clc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCNCC4)cc3)s2)cc1
Show InChI InChI=1S/C26H29ClN6O2S/c27-21-6-1-18(2-7-21)5-10-23-30-31-26(36-23)29-25(35)20-15-24(34)33(17-20)22-8-3-19(4-9-22)16-32-13-11-28-12-14-32/h1-4,6-9,20,28H,5,10-17H2,(H,29,31,35)
PDB

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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))
BDBM303743
PNG
(5-[2-(4- fluorophenyl)ethyl]-N- [(3R)-5-oxo-1-[4-(...)
Show SMILES Fc1ccc(CCc2cc(no2)C(=O)N[C@H]2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C28H31FN4O3/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))
BDBM303747
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thiadiazol-...)
Show SMILES CN(C)Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C24H26ClN5O2S/c1-29(2)14-17-5-10-20(11-6-17)30-15-18(13-22(30)31)23(32)26-24-28-27-21(33-24)12-7-16-3-8-19(25)9-4-16/h3-6,8-11,18H,7,12-15H2,1-2H3,(H,26,28,32)
PDB

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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))
BDBM303748
PNG
((3S)-N-[6-[2-(4- fluorophenyl) ethyl]pyridazin- 3-...)
Show SMILES Fc1ccc(CCc2ccc(NC(=O)[C@@H]3CN(C(=O)C3)c3ccc(CN4CCCCC4)cc3)nn2)cc1
Show InChI InChI=1S/C29H32FN5O2/c30-24-9-4-21(5-10-24)6-11-25-12-15-27(33-32-25)31-29(37)23-18-28(36)35(20-23)26-13-7-22(8-14-26)19-34-16-2-1-3-17-34/h4-5,7-10,12-15,23H,1-3,6,11,16-20H2,(H,31,33,37)/t23-/m0/s1
PDB

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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))
BDBM303744
PNG
(5-[2-(4- fluorophenyl)ethyl]-N- [(3S)-5-oxo-1-[4-(...)
Show SMILES Fc1ccc(CCc2cc(no2)C(=O)N[C@@H]2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C28H31FN4O3/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-/m0/s1
PDB

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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))
BDBM303732
PNG
(1-[4- (morpholinomethyl) phenyl]-5-oxo-N-[6-(2- ph...)
Show SMILES O=C(Nc1ccc(CCc2ccccc2)nn1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C28H31N5O3/c34-27-18-23(20-33(27)25-11-7-22(8-12-25)19-32-14-16-36-17-15-32)28(35)29-26-13-10-24(30-31-26)9-6-21-4-2-1-3-5-21/h1-5,7-8,10-13,23H,6,9,14-20H2,(H,29,31,35)
PDB

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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))
BDBM303731
PNG
((3R)-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-/m1/s1
PDB

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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))
BDBM303749
PNG
(1-[4- (morpholinomethyl) phenyl]-5-oxo- N-[5-(2- p...)
Show SMILES O=C(Nc1cc(CCc2ccccc2)[nH]n1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C27H31N5O3/c33-26-16-22(19-32(26)24-10-7-21(8-11-24)18-31-12-14-35-15-13-31)27(34)28-25-17-23(29-30-25)9-6-20-4-2-1-3-5-20/h1-5,7-8,10-11,17,22H,6,9,12-16,18-19H2,(H2,28,29,30,34)
PDB

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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))
BDBM303754
PNG
(N-[[4-[4-[[5-[2-(4- chlorophenyl)ethyl]- 1,3,4-thi...)
Show SMILES CN1CCC(CC1)C(=O)NCc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C29H33ClN6O3S/c1-35-14-12-21(13-15-35)27(38)31-17-20-4-9-24(10-5-20)36-18-22(16-26(36)37)28(39)32-29-34-33-25(40-29)11-6-19-2-7-23(30)8-3-19/h2-5,7-10,21-22H,6,11-18H2,1H3,(H,31,38)(H,32,34,39)
PDB

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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))
BDBM303745
PNG
(N-[5-oxo-1-[4-(1- piperidylmethyl)phenyl] pyrrolid...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1cc(CCc2ccccc2)on1
Show InChI InChI=1S/C28H32N4O3/c33-27-17-23(20-32(27)24-12-9-22(10-13-24)19-31-15-5-2-6-16-31)29-28(34)26-18-25(35-30-26)14-11-21-7-3-1-4-8-21/h1,3-4,7-10,12-13,18,23H,2,5-6,11,14-17,19-20H2,(H,29,34)
PDB

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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))
BDBM303733
PNG
((3R)-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-/m1/s1
PDB

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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))
BDBM303740
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4-[[(3-hy...)
Show SMILES CC(C)(O)CCNCc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)c1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C27H32ClN5O3S/c1-27(2,36)13-14-29-16-19-5-10-22(11-6-19)33-17-21(15-24(33)34)30-25(35)26-32-31-23(37-26)12-7-18-3-8-20(28)9-4-18/h3-6,8-11,21,29,36H,7,12-17H2,1-2H3,(H,30,35)/t21-/m1/s1
PDB

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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))
BDBM303741
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4-[[(3-hy...)
Show SMILES CN(CCC(C)(C)O)Cc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)c1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C28H34ClN5O3S/c1-28(2,37)14-15-33(3)17-20-6-11-23(12-7-20)34-18-22(16-25(34)35)30-26(36)27-32-31-24(38-27)13-8-19-4-9-21(29)10-5-19/h4-7,9-12,22,37H,8,13-18H2,1-3H3,(H,30,36)/t22-/m1/s1
PDB

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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))
BDBM303734
PNG
((3S)-5-oxo-1-[4-(1- piperidylmethyl)phenyl]- N-[5-...)
Show SMILES O=C(Nc1nnc(CCC2CCCCO2)s1)[C@@H]1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N5O3S/c32-24-16-20(18-31(24)21-9-7-19(8-10-21)17-30-13-3-1-4-14-30)25(33)27-26-29-28-23(35-26)12-11-22-6-2-5-15-34-22/h7-10,20,22H,1-6,11-18H2,(H,27,29,33)/t20-,22?/m0/s1
PDB

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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))
BDBM303742
PNG
(N-[5-oxo-1-[4-(1- piperidylmethyl)phenyl] pyrrolid...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1nnc(CCc2ccccc2)s1
Show InChI InChI=1S/C27H31N5O2S/c33-25-17-22(19-32(25)23-12-9-21(10-13-23)18-31-15-5-2-6-16-31)28-26(34)27-30-29-24(35-27)14-11-20-7-3-1-4-8-20/h1,3-4,7-10,12-13,22H,2,5-6,11,14-19H2,(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))
BDBM303735
PNG
((3S)-1-[4- (morpholinomethyl) phenyl]-5-oxo- N-[5-...)
Show SMILES O=C(Nc1nnc(CCC2CCCCO2)s1)[C@@H]1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C25H33N5O4S/c31-23-15-19(17-30(23)20-6-4-18(5-7-20)16-29-10-13-33-14-11-29)24(32)26-25-28-27-22(35-25)9-8-21-3-1-2-12-34-21/h4-7,19,21H,1-3,8-17H2,(H,26,28,32)/t19-,21?/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))
BDBM303765
PNG
(5-[(4- chlorophenyl)methyl- amino]-N-[5-oxo-1-[4-(...)
Show SMILES Clc1ccc(CNc2nnc(s2)C(=O)NC2CN(C(=O)C2)c2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C26H29ClN6O2S/c27-20-8-4-18(5-9-20)15-28-26-31-30-25(36-26)24(35)29-21-14-23(34)33(17-21)22-10-6-19(7-11-22)16-32-12-2-1-3-13-32/h4-11,21H,1-3,12-17H2,(H,28,31)(H,29,35)
PDB

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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))
BDBM303762
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4-[(4- me...)
Show SMILES CN1CCN(Cc2ccc(cc2)N2C[C@@H](CC2=O)NC(=O)c2nnc(CCc3ccc(Cl)cc3)s2)CC1
Show InChI InChI=1S/C27H31ClN6O2S/c1-32-12-14-33(15-13-32)17-20-4-9-23(10-5-20)34-18-22(16-25(34)35)29-26(36)27-31-30-24(37-27)11-6-19-2-7-21(28)8-3-19/h2-5,7-10,22H,6,11-18H2,1H3,(H,29,36)/t22-/m1/s1
PDB

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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))
BDBM303781
PNG
(5-[2-(4- chlorophenyl)ethyl]-N- [(3R)-1-[4- (metha...)
Show SMILES [*].CS(=O)(=O)NCc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)c1nnc(CCc2ccc(Cl)cc2)s1
PDB

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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))
BDBM303755
PNG
((3S)-1-[4- (morpholinomethyl) phenyl]-5-oxo-N-[5-(...)
Show SMILES O=C(Nc1nnc(CCC2CCCO2)s1)[C@@H]1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C24H31N5O4S/c30-22-14-18(23(31)25-24-27-26-21(34-24)8-7-20-2-1-11-33-20)16-29(22)19-5-3-17(4-6-19)15-28-9-12-32-13-10-28/h3-6,18,20H,1-2,7-16H2,(H,25,27,31)/t18-,20?/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))
BDBM303756
PNG
(N-[5- (cyclohexoxymethyl) thiazol-2-yl]-1-[4- (mor...)
Show SMILES O=C(Nc1ncc(COC2CCCCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C26H34N4O4S/c31-24-14-20(17-30(24)21-8-6-19(7-9-21)16-29-10-12-33-13-11-29)25(32)28-26-27-15-23(35-26)18-34-22-4-2-1-3-5-22/h6-9,15,20,22H,1-5,10-14,16-18H2,(H,27,28,32)
PDB

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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))
BDBM303769
PNG
(N-[3-[2-(4- methoxyphenyl)ethyl] isoxazol-5-yl]-1-...)
Show SMILES COc1ccc(CCc2cc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)on2)cc1
Show InChI InChI=1S/C28H32N4O5/c1-35-25-10-5-20(6-11-25)2-7-23-17-26(37-30-23)29-28(34)22-16-27(33)32(19-22)24-8-3-21(4-9-24)18-31-12-14-36-15-13-31/h3-6,8-11,17,22H,2,7,12-16,18-19H2,1H3,(H,29,34)
PDB

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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))
BDBM303757
PNG
(1-[4- (morpholinomethyl) phenyl]-5-oxo-N-[5-(2- te...)
Show SMILES O=C(Nc1nnc(CCC2CCOCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C25H33N5O4S/c31-23-15-20(17-30(23)21-4-1-19(2-5-21)16-29-9-13-34-14-10-29)24(32)26-25-28-27-22(35-25)6-3-18-7-11-33-12-8-18/h1-2,4-5,18,20H,3,6-17H2,(H,26,28,32)
PDB

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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))
BDBM303773
PNG
(1-[4- (aminomethyl)phenyl]- N-[5-[2-(4- chlorophen...)
Show SMILES NCc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(CCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C22H22ClN5O2S/c23-17-6-1-14(2-7-17)5-10-19-26-27-22(31-19)25-21(30)16-11-20(29)28(13-16)18-8-3-15(12-24)4-9-18/h1-4,6-9,16H,5,10-13,24H2,(H,25,27,30)
PDB

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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))
BDBM303766
PNG
(N-[5-oxo-1-[4-(1- piperidylmethyl)phenyl] pyrrolid...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1ncc(CCc2ccccc2)s1
Show InChI InChI=1S/C28H32N4O2S/c33-26-17-23(20-32(26)24-12-9-22(10-13-24)19-31-15-5-2-6-16-31)30-27(34)28-29-18-25(35-28)14-11-21-7-3-1-4-8-21/h1,3-4,7-10,12-13,18,23H,2,5-6,11,14-17,19-20H2,(H,30,34)
PDB

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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))
BDBM303758
PNG
(5-oxo-1-[4-(1- piperidylmethyl)phenyl]- N-[5-(2-te...)
Show SMILES O=C(Nc1nnc(CCC2CCOCC2)s1)C1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N5O3S/c32-24-16-21(18-31(24)22-7-4-20(5-8-22)17-30-12-2-1-3-13-30)25(33)27-26-29-28-23(35-26)9-6-19-10-14-34-15-11-19/h4-5,7-8,19,21H,1-3,6,9-18H2,(H,27,29,33)
PDB

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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))
BDBM303759
PNG
((3S)-5-oxo-1-[4-(1- piperidylmethyl)phenyl]- N-[5-...)
Show SMILES O=C(Nc1nnc(CCC2CCOCC2)s1)[C@@H]1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N5O3S/c32-24-16-21(18-31(24)22-7-4-20(5-8-22)17-30-12-2-1-3-13-30)25(33)27-26-29-28-23(35-26)9-6-19-10-14-34-15-11-19/h4-5,7-8,19,21H,1-3,6,9-18H2,(H,27,29,33)/t21-/m0/s1
PDB

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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))
BDBM303760
PNG
((3S)-5-oxo-1-[4-(1- piperidylmethyl)phenyl]- N-[5-...)
Show SMILES O=C(Nc1nnc(CCC2CCCO2)s1)[C@@H]1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H33N5O3S/c31-23-15-19(24(32)26-25-28-27-22(34-25)11-10-21-5-4-14-33-21)17-30(23)20-8-6-18(7-9-20)16-29-12-2-1-3-13-29/h6-9,19,21H,1-5,10-17H2,(H,26,28,32)/t19-,21?/m0/s1
PDB

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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))
BDBM303763
PNG
(N-[5-oxo-1-[4-(1- piperidylmethyl)phenyl] pyrrolid...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1nnc(CCc2ccccc2)o1
Show InChI InChI=1S/C27H31N5O3/c33-25-17-22(19-32(25)23-12-9-21(10-13-23)18-31-15-5-2-6-16-31)28-26(34)27-30-29-24(35-27)14-11-20-7-3-1-4-8-20/h1,3-4,7-10,12-13,22H,2,5-6,11,14-19H2,(H,28,34)
PDB

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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))
BDBM303770
PNG
(1-[4- (morpholinomethyl) phenyl]-5-oxo-N-[3-(2- ph...)
Show SMILES O=C(Nc1cc(CCc2ccccc2)no1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C27H30N4O4/c32-26-16-22(19-31(26)24-10-7-21(8-11-24)18-30-12-14-34-15-13-30)27(33)28-25-17-23(29-35-25)9-6-20-4-2-1-3-5-20/h1-5,7-8,10-11,17,22H,6,9,12-16,18-19H2,(H,28,33)
PDB

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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))
BDBM303764
PNG
(5-[2-(2-furyl)ethyl]-N-[5- oxo-1-[4-(1- piperidylm...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1nnc(CCc2ccco2)s1
Show InChI InChI=1S/C25H29N5O3S/c31-23-15-19(26-24(32)25-28-27-22(34-25)11-10-21-5-4-14-33-21)17-30(23)20-8-6-18(7-9-20)16-29-12-2-1-3-13-29/h4-9,14,19H,1-3,10-13,15-17H2,(H,26,32)
PDB

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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))
BDBM303761
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]-1- methyl-pyrazol-...)
Show SMILES Cn1nc(NC(=O)C2CN(C(=O)C2)c2ccc(CN3CCOCC3)cc2)cc1CCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H32ClN5O3/c1-32-25(11-4-20-2-7-23(29)8-3-20)17-26(31-32)30-28(36)22-16-27(35)34(19-22)24-9-5-21(6-10-24)18-33-12-14-37-15-13-33/h2-3,5-10,17,22H,4,11-16,18-19H2,1H3,(H,30,31,36)
PDB

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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))
BDBM303767
PNG
(N-[5-oxo-1-[4-(1- piperidylmethyl)phenyl] pyrrolid...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1cc(CCc2ccccc2)no1
Show InChI InChI=1S/C28H32N4O3/c33-27-18-24(20-32(27)25-13-10-22(11-14-25)19-31-15-5-2-6-16-31)29-28(34)26-17-23(30-35-26)12-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-11,13-14,17,24H,2,5-6,9,12,15-16,18-20H2,(H,29,34)
PDB

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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))
BDBM303771
PNG
(1-[4- (morpholinomethyl) phenyl]-5-oxo-N-[2-(2- ph...)
Show SMILES O=C(Nc1cnc(CCc2ccccc2)s1)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C27H30N4O3S/c32-26-16-22(19-31(26)23-9-6-21(7-10-23)18-30-12-14-34-15-13-30)27(33)29-25-17-28-24(35-25)11-8-20-4-2-1-3-5-20/h1-7,9-10,17,22H,8,11-16,18-19H2,(H,29,33)
PDB

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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))
BDBM303774
PNG
(N-[5-oxo-1-[4-(1- piperidylmethyl)phenyl] pyrrolid...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1cc(CCc2ccccc2)[nH]n1
Show InChI InChI=1S/C28H33N5O2/c34-27-18-24(20-33(27)25-13-10-22(11-14-25)19-32-15-5-2-6-16-32)29-28(35)26-17-23(30-31-26)12-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-11,13-14,17,24H,2,5-6,9,12,15-16,18-20H2,(H,29,35)(H,30,31)
PDB

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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))
BDBM303772
PNG
(N-[5-[2-(4- chlorophenyl)ethyl]-2- methyl-pyrazol-...)
Show SMILES Cn1nc(CCc2ccc(Cl)cc2)cc1NC(=O)C1CN(C(=O)C1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C28H32ClN5O3/c1-32-26(17-24(31-32)9-4-20-2-7-23(29)8-3-20)30-28(36)22-16-27(35)34(19-22)25-10-5-21(6-11-25)18-33-12-14-37-15-13-33/h2-3,5-8,10-11,17,22H,4,9,12-16,18-19H2,1H3,(H,30,36)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.55E+3n/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))
BDBM303777
PNG
(N-[5-[2-(4- methoxyphenyl)ethyl]- 1,3,4-oxadiazol-...)
Show SMILES COc1ccc(CCc2nnc(NC(=O)C3CN(C(=O)C3)c3ccc(CN4CCOCC4)cc3)o2)cc1
Show InChI InChI=1S/C27H31N5O5/c1-35-23-9-4-19(5-10-23)6-11-24-29-30-27(37-24)28-26(34)21-16-25(33)32(18-21)22-7-2-20(3-8-22)17-31-12-14-36-15-13-31/h2-5,7-10,21H,6,11-18H2,1H3,(H,28,30,34)
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.45E+3n/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))
BDBM303775
PNG
(N-[5-oxo-1-[4-(1- piperidylmethyl)phenyl] pyrrolid...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1ccc(CCc2ccccc2)nn1
Show InChI InChI=1S/C29H33N5O2/c35-28-19-25(21-34(28)26-14-10-23(11-15-26)20-33-17-5-2-6-18-33)30-29(36)27-16-13-24(31-32-27)12-9-22-7-3-1-4-8-22/h1,3-4,7-8,10-11,13-16,25H,2,5-6,9,12,17-21H2,(H,30,36)
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 7.06E+3n/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))
BDBM303776
PNG
(N-[5-oxo-1-[4-(1- piperidylmethyl)phenyl] pyrrolid...)
Show SMILES O=C(NC1CN(C(=O)C1)c1ccc(CN2CCCCC2)cc1)c1cnc(CCc2ccccc2)s1
Show InChI InChI=1S/C28H32N4O2S/c33-27-17-23(20-32(27)24-12-9-22(10-13-24)19-31-15-5-2-6-16-31)30-28(34)25-18-29-26(35-25)14-11-21-7-3-1-4-8-21/h1,3-4,7-10,12-13,18,23H,2,5-6,11,14-17,19-20H2,(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.35E+3n/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
* indicates data uncertainty>20%