BindingDB logo
myBDB logout

Patent code US9409895

Compile Data Set for Download or QSAR
Found 69 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))
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241153
PNG
(US9409895, 63)
Show SMILES FC(F)(F)c1cc(Br)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H23BrF3N5O3/c21-15-9-13(8-14(10-15)20(22,23)24)12-32-19(31)29-6-4-16(5-7-29)26-18(30)3-1-2-17-11-25-28-27-17/h8-11,16H,1-7,12H2,(H,26,30)(H,25,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241108
PNG
(US9409895, 19)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)c1
Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-7-12(8-14(20)9-13)11-28-18(27)25-5-3-15(4-6-25)22-17(26)2-1-16-10-21-24-23-16/h7-10,15H,1-6,11H2,(H,22,26)(H,21,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241157
PNG
(US9409895, 67)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCCc2c[nH]nn2)c1
Show InChI InChI=1S/C21H27Cl2N5O3/c22-16-10-15(11-17(23)12-16)14-31-21(30)28-8-6-18(7-9-28)25-20(29)5-3-1-2-4-19-13-24-27-26-19/h10-13,18H,1-9,14H2,(H,25,29)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241109
PNG
(US9409895, 20)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241156
PNG
(US9409895, 66)
Show SMILES FC(F)(F)c1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C21H23F3N6O3/c22-21(23,24)16-9-14(11-25)8-15(10-16)13-33-20(32)30-6-4-17(5-7-30)27-19(31)3-1-2-18-12-26-29-28-18/h8-10,12,17H,1-7,13H2,(H,27,31)(H,26,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241152
PNG
(US9409895, 62)
Show SMILES Cc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N5O3/c1-14-9-15(11-16(10-14)21(22,23)24)13-32-20(31)29-7-5-17(6-8-29)26-19(30)4-2-3-18-12-25-28-27-18/h9-12,17H,2-8,13H2,1H3,(H,26,30)(H,25,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241141
PNG
(US9409895, 51)
Show SMILES Cc1cc(C)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C21H29N5O3/c1-15-10-16(2)12-17(11-15)14-29-21(28)26-8-6-18(7-9-26)23-20(27)5-3-4-19-13-22-25-24-19/h10-13,18H,3-9,14H2,1-2H3,(H,23,27)(H,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241150
PNG
(US9409895, 60)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCC(=O)NCc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)1-2-18(27)22-10-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241133
PNG
(US9409895, 44)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C20H23ClN6O3/c21-16-9-14(11-22)8-15(10-16)13-30-20(29)27-6-4-17(5-7-27)24-19(28)3-1-2-18-12-23-26-25-18/h8-10,12,17H,1-7,13H2,(H,24,28)(H,23,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241154
PNG
(US9409895, 64)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C21H25ClN6O3/c22-17-10-15(12-23)9-16(11-17)14-31-21(30)28-7-5-18(6-8-28)25-20(29)4-2-1-3-19-13-24-27-26-19/h9-11,13,18H,1-8,14H2,(H,25,29)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241146
PNG
(US9409895, 56)
Show SMILES Cc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H26ClN5O3/c1-14-9-15(11-16(21)10-14)13-29-20(28)26-7-5-17(6-8-26)23-19(27)4-2-3-18-12-22-25-24-18/h9-12,17H,2-8,13H2,1H3,(H,23,27)(H,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241140
PNG
(US9409895, 50)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC(C2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C17H19Cl2N5O3/c18-12-4-11(5-13(19)6-12)10-27-17(26)24-8-15(9-24)21-16(25)3-1-2-14-7-20-23-22-14/h4-7,15H,1-3,8-10H2,(H,21,25)(H,20,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241151
PNG
(US9409895, 61)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC(=O)NCCc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)10-15)12-29-19(28)26-5-2-13(3-6-26)9-18(27)22-4-1-17-11-23-25-24-17/h7-8,10-11,13H,1-6,9,12H2,(H,22,27)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241147
PNG
(US9409895, 57)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCc3cnn[nH]3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)10-22-18(27)2-1-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241130
PNG
(US9409895, 41)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCCc3cnn[nH]3)CC2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-16-8-15(9-17(22)10-16)13-30-20(29)27-6-4-14(5-7-27)11-23-19(28)3-1-2-18-12-24-26-25-18/h8-10,12,14H,1-7,11,13H2,(H,23,28)(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241127
PNG
(US9409895, 38)
Show SMILES Clc1cc(Cl)cc(\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H23Cl2N5O2/c21-15-10-14(11-16(22)12-15)4-5-20(29)27-8-6-17(7-9-27)24-19(28)3-1-2-18-13-23-26-25-18/h4-5,10-13,17H,1-3,6-9H2,(H,24,28)(H,23,25,26)/b5-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241149
PNG
(US9409895, 59)
Show SMILES Clc1cc(Cl)cc(CCOC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-10-14(11-16(22)12-15)6-9-30-20(29)27-7-4-17(5-8-27)24-19(28)3-1-2-18-13-23-26-25-18/h10-13,17H,1-9H2,(H,24,28)(H,23,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241155
PNG
(US9409895, 65)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C19H21ClN6O3/c20-15-8-13(10-21)7-14(9-15)12-29-19(28)26-5-3-16(4-6-26)23-18(27)2-1-17-11-22-25-24-17/h7-9,11,16H,1-6,12H2,(H,23,27)(H,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241096
PNG
(US9409895, 7)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCNC(=O)Cc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-2-13(3-6-26)1-4-22-18(27)10-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241104
PNG
(US9409895, 15)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)s1
Show InChI InChI=1S/C20H23Cl2N3O4S/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241143
PNG
(US9409895, 53)
Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc1
Show InChI InChI=1S/C20H24F3N5O3/c21-20(22,23)15-6-4-14(5-7-15)13-31-19(30)28-10-8-16(9-11-28)25-18(29)3-1-2-17-12-24-27-26-17/h4-7,12,16H,1-3,8-11,13H2,(H,25,29)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241142
PNG
(US9409895, 52)
Show SMILES Clc1cc(Cl)cc(COC(=O)NC2CCN(CC2)C(=O)CCCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)24-17-5-7-27(8-6-17)19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,29)(H,23,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241138
PNG
(US9409895, 49)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(C2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-6-12(7-14(20)8-13)11-28-18(27)25-5-4-16(10-25)22-17(26)3-1-2-15-9-21-24-23-15/h6-9,16H,1-5,10-11H2,(H,22,26)(H,21,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 48n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241100
PNG
(US9409895, 11)
Show SMILES CCOc1c(NCCC2CN(CCO2)C(=O)OCc2cc(Cl)cc(Cl)c2)c(=O)c1=O
Show InChI InChI=1S/C20H22Cl2N2O6/c1-2-28-19-16(17(25)18(19)26)23-4-3-15-10-24(5-6-29-15)20(27)30-11-12-7-13(21)9-14(22)8-12/h7-9,15,23H,2-6,10-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241126
PNG
(US9409895, 37)
Show SMILES Fc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C19H23ClFN5O3/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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241095
PNG
(US9409895, 6)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)Cc1c[nH]nn1
Show InChI InChI=1S/C20H25Cl2N5O3/c1-26(19(28)11-18-12-23-25-24-18)5-2-14-3-6-27(7-4-14)20(29)30-13-15-8-16(21)10-17(22)9-15/h8-10,12,14H,2-7,11,13H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241121
PNG
(US9409895, 32)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1
Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241128
PNG
(US9409895, 39)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2N5O2/c21-15-6-4-14(18(22)12-15)5-7-20(29)27-10-8-16(9-11-27)24-19(28)3-1-2-17-13-23-26-25-17/h4-7,12-13,16H,1-3,8-11H2,(H,24,28)(H,23,25,26)/b7-5+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 77n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241144
PNG
(US9409895, 54)
Show SMILES FC(F)(F)c1ccc(CCC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc1
Show InChI InChI=1S/C21H26F3N5O2/c22-21(23,24)16-7-4-15(5-8-16)6-9-20(31)29-12-10-17(11-13-29)26-19(30)3-1-2-18-14-25-28-27-18/h4-5,7-8,14,17H,1-3,6,9-13H2,(H,26,30)(H,25,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 87n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241107
PNG
(US9409895, 18)
Show SMILES CN(C1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)CCCc1c[nH]nn1
Show InChI InChI=1S/C20H25Cl2N5O3/c1-26(19(28)4-2-3-17-12-23-25-24-17)18-5-7-27(8-6-18)20(29)30-13-14-9-15(21)11-16(22)10-14/h9-12,18H,2-8,13H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 94n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241110
PNG
(US9409895, 21)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCNC(=O)c3c[nH]c(=O)o3)CC2)c1
Show InChI InChI=1S/C19H21Cl2N3O5/c20-14-7-13(8-15(21)9-14)11-28-19(27)24-5-2-12(3-6-24)1-4-22-17(25)16-10-23-18(26)29-16/h7-10,12H,1-6,11H2,(H,22,25)(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 106n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241098
PNG
(US9409895, 9)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)\C=C\c2c[nH]cn2)c1
Show InChI InChI=1S/C19H20Cl2N4O3/c20-14-7-13(8-15(21)9-14)11-28-19(27)25-5-3-16(4-6-25)24-18(26)2-1-17-10-22-12-23-17/h1-2,7-10,12,16H,3-6,11H2,(H,22,23)(H,24,26)/b2-1+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 109n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241132
PNG
(US9409895, 43)
Show SMILES Clc1ccc(CCC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c(Cl)c1
Show InChI InChI=1S/C20H25Cl2N5O2/c21-15-6-4-14(18(22)12-15)5-7-20(29)27-10-8-16(9-11-27)24-19(28)3-1-2-17-13-23-26-25-17/h4,6,12-13,16H,1-3,5,7-11H2,(H,24,28)(H,23,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 113n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241131
PNG
(US9409895, 42)
Show SMILES Clc1cc(Cl)cc(CCC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O2/c21-15-10-14(11-16(22)12-15)4-5-20(29)27-8-6-17(7-9-27)24-19(28)3-1-2-18-13-23-26-25-18/h10-13,17H,1-9H2,(H,24,28)(H,23,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 119n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241122
PNG
(US9409895, 33)
Show SMILES Oc1cc(CCC(=O)NCC2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)on1
Show InChI InChI=1S/C20H23Cl2N3O5/c21-15-7-14(8-16(22)9-15)12-29-20(28)25-5-3-13(4-6-25)11-23-18(26)2-1-17-10-19(27)24-30-17/h7-10,13H,1-6,11-12H2,(H,23,26)(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 131n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241129
PNG
(US9409895, 40)
Show SMILES OC(=O)CCCCCCC(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H28Cl2N2O5/c22-16-11-15(12-17(23)13-16)14-30-21(29)25-9-7-18(8-10-25)24-19(26)5-3-1-2-4-6-20(27)28/h11-13,18H,1-10,14H2,(H,24,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 135n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241145
PNG
(US9409895, 55)
Show SMILES Clc1cc(Cl)cc(OCC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-13-8-14(21)10-17(9-13)29-12-19(28)26-6-4-15(5-7-26)23-18(27)3-1-2-16-11-22-25-24-16/h8-11,15H,1-7,12H2,(H,23,27)(H,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 154n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241115
PNG
(US9409895, 26)
Show SMILES CN(CCCN1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1
Show InChI InChI=1S/C20H24Cl2N4O5/c1-24(18(27)17-12-23-19(28)31-17)3-2-4-25-5-7-26(8-6-25)20(29)30-13-14-9-15(21)11-16(22)10-14/h9-12H,2-8,13H2,1H3,(H,23,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 156n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241124
PNG
(US9409895, 35)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]nn1
Show InChI InChI=1S/C19H23Cl2N5O3/c1-25(18(27)17-11-22-24-23-17)5-2-13-3-6-26(7-4-13)19(28)29-12-14-8-15(20)10-16(21)9-14/h8-11,13H,2-7,12H2,1H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 175n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241148
PNG
(US9409895, 58)
Show SMILES Clc1ccc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c(Cl)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-5-4-13(17(21)10-14)12-29-19(28)26-8-6-15(7-9-26)23-18(27)3-1-2-16-11-22-25-24-16/h4-5,10-11,15H,1-3,6-9,12H2,(H,23,27)(H,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 206n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241091
PNG
(US9409895, 2)
Show SMILES COc1c(N(C)CCC2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)c(=O)c1=O
Show InChI InChI=1S/C21H24Cl2N2O5/c1-24(17-18(26)19(27)20(17)29-2)6-3-13-4-7-25(8-5-13)21(28)30-12-14-9-15(22)11-16(23)10-14/h9-11,13H,3-8,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 248n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241139
PNG
(US9409895, 49b)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC[C@H](C2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-6-12(7-14(20)8-13)11-28-18(27)25-5-4-16(10-25)22-17(26)3-1-2-15-9-21-24-23-15/h6-9,16H,1-5,10-11H2,(H,22,26)(H,21,23,24)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 263n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241119
PNG
(US9409895, 30)
Show SMILES CN(CCC1CCN(CC1)C(=O)\C=C\c1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1
Show InChI InChI=1S/C21H23Cl2N3O4/c1-25(20(28)18-13-24-21(29)30-18)7-4-14-5-8-26(9-6-14)19(27)3-2-15-10-16(22)12-17(23)11-15/h2-3,10-14H,4-9H2,1H3,(H,24,29)/b3-2+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 274n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241123
PNG
(US9409895, 34)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCCNC(=O)c3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C18H22Cl2N6O3/c19-14-8-13(9-15(20)10-14)12-29-18(28)26-6-4-25(5-7-26)3-1-2-21-17(27)16-11-22-24-23-16/h8-11H,1-7,12H2,(H,21,27)(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 282n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241094
PNG
(US9409895, 5)
Show SMILES CC1CC(CNC(=O)CCc2cc(O)no2)CCN1C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O5/c1-13-6-14(11-24-19(27)3-2-18-10-20(28)25-31-18)4-5-26(13)21(29)30-12-15-7-16(22)9-17(23)8-15/h7-10,13-14H,2-6,11-12H2,1H3,(H,24,27)(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 313n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241097
PNG
(US9409895, 8)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1[nH]c(=O)oc1C
Show InChI InChI=1S/C21H25Cl2N3O5/c1-13-18(24-20(28)31-13)19(27)25(2)6-3-14-4-7-26(8-5-14)21(29)30-12-15-9-16(22)11-17(23)10-15/h9-11,14H,3-8,12H2,1-2H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 360n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241116
PNG
(US9409895, 27)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCNC(=O)c3c[nH]c(=O)o3)CC2)c1
Show InChI InChI=1S/C18H20Cl2N4O5/c19-13-7-12(8-14(20)9-13)11-28-18(27)24-5-3-23(4-6-24)2-1-21-16(25)15-10-22-17(26)29-15/h7-10H,1-6,11H2,(H,21,25)(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 375n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241120
PNG
(US9409895, 31)
Show SMILES Clc1cc(Cl)cc(\C=C\C(=O)N2CCC(CCNC(=O)c3c[nH]c(=O)o3)CC2)c1
Show InChI InChI=1S/C20H21Cl2N3O4/c21-15-9-14(10-16(22)11-15)1-2-18(26)25-7-4-13(5-8-25)3-6-23-19(27)17-12-24-20(28)29-17/h1-2,9-13H,3-8H2,(H,23,27)(H,24,28)/b2-1+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 387n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241112
PNG
(US9409895, 23)
Show SMILES Oc1cc(CCC(=O)NC2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)on1
Show InChI InChI=1S/C19H21Cl2N3O5/c20-13-7-12(8-14(21)9-13)11-28-19(27)24-5-3-15(4-6-24)22-17(25)2-1-16-10-18(26)23-29-16/h7-10,15H,1-6,11H2,(H,22,25)(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 396n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241092
PNG
(US9409895, 3)
Show SMILES CCOc1c(NCCC2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)c(=O)c1=O
Show InChI InChI=1S/C21H24Cl2N2O5/c1-2-29-20-17(18(26)19(20)27)24-6-3-13-4-7-25(8-5-13)21(28)30-12-14-9-15(22)11-16(23)10-14/h9-11,13,24H,2-8,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 445n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241114
PNG
(US9409895, 25)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1cc(O)[nH]n1
Show InChI InChI=1S/C20H24Cl2N4O4/c1-25(19(28)17-11-18(27)24-23-17)5-2-13-3-6-26(7-4-13)20(29)30-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H2,23,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 520n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241101
PNG
(US9409895, 12)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCOC(CCNC(=O)c3c[nH]c(=O)o3)C2)c1
Show InChI InChI=1S/C18H19Cl2N3O6/c19-12-5-11(6-13(20)7-12)10-28-18(26)23-3-4-27-14(9-23)1-2-21-16(24)15-8-22-17(25)29-15/h5-8,14H,1-4,9-10H2,(H,21,24)(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 520n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241103
PNG
(US9409895, 14)
Show SMILES CCOc1c(N(C)CCC2CN(CCO2)C(=O)OCc2cc(Cl)cc(Cl)c2)c(=O)c1=O
Show InChI InChI=1S/C21H24Cl2N2O6/c1-3-29-20-17(18(26)19(20)27)24(2)5-4-16-11-25(6-7-30-16)21(28)31-12-13-8-14(22)10-15(23)9-13/h8-10,16H,3-7,11-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 540n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241118
PNG
(US9409895, 29)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1nn[nH]n1
Show InChI InChI=1S/C18H22Cl2N6O3/c1-25(17(27)16-21-23-24-22-16)5-2-12-3-6-26(7-4-12)18(28)29-11-13-8-14(19)10-15(20)9-13/h8-10,12H,2-7,11H2,1H3,(H,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 541n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241099
PNG
(US9409895, 10)
Show SMILES OC(=O)CCCCC(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H24Cl2N2O5/c20-14-9-13(10-15(21)11-14)12-28-19(27)23-7-5-16(6-8-23)22-17(24)3-1-2-4-18(25)26/h9-11,16H,1-8,12H2,(H,22,24)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 543n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241134
PNG
(US9409895, 45)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2C3CCC2CC(C3)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C21H25Cl2N5O3/c22-14-6-13(7-15(23)8-14)12-31-21(30)28-18-4-5-19(28)10-17(9-18)25-20(29)3-1-2-16-11-24-27-26-16/h6-8,11,17-19H,1-5,9-10,12H2,(H,25,29)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 555n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241111
PNG
(US9409895, 22)
Show SMILES Oc1cc(CCC(=O)NCCC2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)on1
Show InChI InChI=1S/C21H25Cl2N3O5/c22-16-9-15(10-17(23)11-16)13-30-21(29)26-7-4-14(5-8-26)3-6-24-19(27)2-1-18-12-20(28)25-31-18/h9-12,14H,1-8,13H2,(H,24,27)(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 586n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241105
PNG
(US9409895, 16)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCNC(=O)c3nn[nH]n3)CC2)c1
Show InChI InChI=1S/C17H20Cl2N6O3/c18-13-7-12(8-14(19)9-13)10-28-17(27)25-5-2-11(3-6-25)1-4-20-16(26)15-21-23-24-22-15/h7-9,11H,1-6,10H2,(H,20,26)(H,21,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 596n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241113
PNG
(US9409895, 24)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1coc(=O)[nH]1
Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(18(26)17-12-29-19(27)23-17)5-2-13-3-6-25(7-4-13)20(28)30-11-14-8-15(21)10-16(22)9-14/h8-10,12-13H,2-7,11H2,1H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 624n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241090
PNG
(US9409895, 1)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1cc(O)no1
Show InChI InChI=1S/C20H23Cl2N3O5/c1-24(19(27)17-11-18(26)23-30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 644n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241093
PNG
(US9409895, 4)
Show SMILES Oc1c(NCCC2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)c(=O)c1=O
Show InChI InChI=1S/C19H20Cl2N2O5/c20-13-7-12(8-14(21)9-13)10-28-19(27)23-5-2-11(3-6-23)1-4-22-15-16(24)18(26)17(15)25/h7-9,11,22,24H,1-6,10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 728n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241135
PNG
(US9409895, 46)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-2-4-17(6-8-27)24-19(28)5-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 731n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241117
PNG
(US9409895, 28)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1noc(=O)[nH]1
Show InChI InChI=1S/C19H22Cl2N4O5/c1-24(17(26)16-22-18(27)30-23-16)5-2-12-3-6-25(7-4-12)19(28)29-11-13-8-14(20)10-15(21)9-13/h8-10,12H,2-7,11H2,1H3,(H,22,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 786n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241137
PNG
(US9409895, 48)
Show SMILES Clc1cc(Cl)cc(COC(=O)NC2CCCN(CC2)C(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)24-17-4-2-7-27(8-6-17)19(28)5-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,29)(H,23,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 791n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241102
PNG
(US9409895, 13)
Show SMILES CN(CCC1CN(CCO1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)o1
Show InChI InChI=1S/C19H21Cl2N3O6/c1-23(17(25)16-9-22-18(26)30-16)3-2-15-10-24(4-5-28-15)19(27)29-11-12-6-13(20)8-14(21)7-12/h6-9,15H,2-5,10-11H2,1H3,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 828n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241158
PNG
(US9409895, 49a)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC[C@@H](C2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-6-12(7-14(20)8-13)11-28-18(27)25-5-4-16(10-25)22-17(26)3-1-2-15-9-21-24-23-15/h6-9,16H,1-5,10-11H2,(H,22,26)(H,21,23,24)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241125
PNG
(US9409895, 36)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(c1)C#N)C(=O)c1c[nH]nn1
Show InChI InChI=1S/C20H23ClN6O3/c1-26(19(28)18-12-23-25-24-18)5-2-14-3-6-27(7-4-14)20(29)30-13-16-8-15(11-22)9-17(21)10-16/h8-10,12,14H,2-7,13H2,1H3,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM241136
PNG
(US9409895, 47)
Show SMILES Clc1cc(Cl)cc(COC(=O)NC2CC3CCC(C2)N3C(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C21H25Cl2N5O3/c22-14-6-13(7-15(23)8-14)12-31-21(30)25-17-9-18-4-5-19(10-17)28(18)20(29)3-1-2-16-11-24-27-26-16/h6-8,11,17-19H,1-5,9-10,12H2,(H,25,30)(H,24,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.16E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%