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Compile Data Set for Download or QSAR

Found 14 hits of Enz. Inhib. data with enzyme = 'Autotaxin' and Substrate = 'BDBM209594'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Autotaxin


(Homo sapiens (Human))
BDBM209580
PNG
(US9273011, 1)
Show SMILES COc1ccc(cc1)C(CCO)Nc1ccc(nn1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C22H22F2N4O3/c1-31-17-5-2-14(3-6-17)19(10-11-29)26-21-9-8-20(27-28-21)22(30)25-13-15-12-16(23)4-7-18(15)24/h2-9,12,19,29H,10-11,13H2,1H3,(H,25,30)(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209581
PNG
(US9273011, 2)
Show SMILES COc1ccc(cc1)C(CCO)Nc1ccc(nn1)C(=O)NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C22H22F2N4O3/c1-31-18-4-2-15(3-5-18)19(8-9-29)26-21-7-6-20(27-28-21)22(30)25-13-14-10-16(23)12-17(24)11-14/h2-7,10-12,19,29H,8-9,13H2,1H3,(H,25,30)(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24.9n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209582
PNG
(US9273011, 3)
Show SMILES Cc1noc(NC(=O)c2ccc(NC(CO)Cc3ccc(Cl)cc3)nn2)c1C
Show InChI InChI=1S/C19H20ClN5O3/c1-11-12(2)25-28-19(11)22-18(27)16-7-8-17(24-23-16)21-15(10-26)9-13-3-5-14(20)6-4-13/h3-8,15,26H,9-10H2,1-2H3,(H,21,24)(H,22,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.6n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209583
PNG
(US9273011, 4)
Show SMILES CCN(Cc1ccncc1)c1ccc(nn1)C(=O)Nc1cc(nn1C)-c1ccccc1
Show InChI InChI=1S/C23H23N7O/c1-3-30(16-17-11-13-24-14-12-17)21-10-9-19(26-27-21)23(31)25-22-15-20(28-29(22)2)18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3,(H,25,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 65.2n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209584
PNG
(US9273011, 5)
Show SMILES COc1ccc(cc1)C(CCO)Nc1ccc(nn1)C(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C20H23N5O4/c1-12-13(2)25-29-20(12)22-19(27)17-8-9-18(24-23-17)21-16(10-11-26)14-4-6-15(28-3)7-5-14/h4-9,16,26H,10-11H2,1-3H3,(H,21,24)(H,22,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 69.5n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209585
PNG
(US9273011, 6)
Show SMILES O=C(NCCN1CCNC1=O)c1ccc(NC2Cc3ccccc3C2)nn1
Show InChI InChI=1S/C19H22N6O2/c26-18(20-7-9-25-10-8-21-19(25)27)16-5-6-17(24-23-16)22-15-11-13-3-1-2-4-14(13)12-15/h1-6,15H,7-12H2,(H,20,26)(H,21,27)(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 73.8n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209586
PNG
(US9273011, 7)
Show SMILES Clc1cc(Cl)cc(CNc2ccc(nn2)C(=O)NCCCn2ccnc2)c1
Show InChI InChI=1S/C18H18Cl2N6O/c19-14-8-13(9-15(20)10-14)11-23-17-3-2-16(24-25-17)18(27)22-4-1-6-26-7-5-21-12-26/h2-3,5,7-10,12H,1,4,6,11H2,(H,22,27)(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 89.2n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209587
PNG
(US9273011, 8)
Show SMILES CC(Nc1ccc(nn1)C(=O)Nc1onc(C)c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN5O2/c1-10-11(2)24-26-18(10)21-17(25)15-8-9-16(23-22-15)20-12(3)13-4-6-14(19)7-5-13/h4-9,12H,1-3H3,(H,20,23)(H,21,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209588
PNG
(US9273011, 9)
Show SMILES Cc1noc(NC(=O)c2ccc(NCc3c(F)ccc(C)c3F)nn2)c1C
Show InChI InChI=1S/C18H17F2N5O2/c1-9-4-5-13(19)12(16(9)20)8-21-15-7-6-14(23-24-15)17(26)22-18-10(2)11(3)25-27-18/h4-7H,8H2,1-3H3,(H,21,24)(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 103n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209589
PNG
(US9273011, 10)
Show SMILES Cc1noc(NC(=O)c2ccc(NCc3cccc4ccccc34)nn2)c1C
Show InChI InChI=1S/C21H19N5O2/c1-13-14(2)26-28-21(13)23-20(27)18-10-11-19(25-24-18)22-12-16-8-5-7-15-6-3-4-9-17(15)16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 114n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209590
PNG
(US9273011, 11)
Show SMILES Cc1noc(NC(=O)c2ccc(NCc3cccc(Cl)c3Cl)nn2)c1C
Show InChI InChI=1S/C17H15Cl2N5O2/c1-9-10(2)24-26-17(9)21-16(25)13-6-7-14(23-22-13)20-8-11-4-3-5-12(18)15(11)19/h3-7H,8H2,1-2H3,(H,20,23)(H,21,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 248n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209591
PNG
(US9273011, 12)
Show SMILES Cc1noc(NC(=O)c2ccc(NC3CCN(Cc4ccccc4)C3)nn2)c1C
Show InChI InChI=1S/C21H24N6O2/c1-14-15(2)26-29-21(14)23-20(28)18-8-9-19(25-24-18)22-17-10-11-27(13-17)12-16-6-4-3-5-7-16/h3-9,17H,10-13H2,1-2H3,(H,22,25)(H,23,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 357n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209592
PNG
(US9273011, 13)
Show SMILES Cc1cc(NC(=O)c2ccc(NC(CO)Cc3ccc(Cl)cc3)nn2)n(C)n1
Show InChI InChI=1S/C19H21ClN6O2/c1-12-9-18(26(2)25-12)22-19(28)16-7-8-17(24-23-16)21-15(11-27)10-13-3-5-14(20)6-4-13/h3-9,15,27H,10-11H2,1-2H3,(H,21,24)(H,22,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 507n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM209593
PNG
(US9273011, 14)
Show SMILES Cc1onc(c1CNc1ccc(nn1)C(=O)NCc1cc(F)cc(F)c1)-c1ccccc1
Show InChI InChI=1S/C23H19F2N5O2/c1-14-19(22(30-32-14)16-5-3-2-4-6-16)13-26-21-8-7-20(28-29-21)23(31)27-12-15-9-17(24)11-18(25)10-15/h2-11H,12-13H2,1H3,(H,26,29)(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 646n/an/an/an/an/a37



Inhibitaxin Limited

US Patent


Assay Description
Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using th...


US Patent US9273011 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65KN
More data for this
Ligand-Target Pair