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Patent code US9951026

Compile Data Set for Download or QSAR
Found 13 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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389142
PNG
(US9951026, 1-7)
Show SMILES COc1ccc(Cn2nc(\C=C(/C#N)c3ccc(cc3)C(O)=O)c3ccc(Cl)cc23)cn1
Show InChI InChI=1S/C24H17ClN4O3/c1-32-23-9-2-15(13-27-23)14-29-22-11-19(25)7-8-20(22)21(28-29)10-18(12-26)16-3-5-17(6-4-16)24(30)31/h2-11,13H,14H2,1H3,(H,30,31)/b18-10+
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389141
PNG
(US9951026, 1-6)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccc(Cl)nc2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C23H14Cl2N4O2/c24-18-6-7-19-20(9-17(11-26)15-2-4-16(5-3-15)23(30)31)28-29(21(19)10-18)13-14-1-8-22(25)27-12-14/h1-10,12H,13H2,(H,30,31)/b17-9+
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389135
PNG
(US9951026, 1-2)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccccc2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H16ClN3O2/c25-20-10-11-21-22(12-19(14-26)17-6-8-18(9-7-17)24(29)30)27-28(23(21)13-20)15-16-4-2-1-3-5-16/h1-13H,15H2,(H,29,30)/b19-12+
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389163
PNG
(US9951026, 3-4)
Show SMILES COc1ccc(Cn2cc(\C=C(/C#N)c3ccc(cc3)C(O)=O)c3ccc(Cl)nc23)cn1
Show InChI InChI=1S/C24H17ClN4O3/c1-32-22-9-2-15(12-27-22)13-29-14-19(20-7-8-21(25)28-23(20)29)10-18(11-26)16-3-5-17(6-4-16)24(30)31/h2-10,12,14H,13H2,1H3,(H,30,31)/b18-10+
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389153
PNG
(US9951026, 3-1)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1cn(Cc2ccc(F)cc2)c2ncccc12)\C#N
Show InChI InChI=1S/C24H16FN3O2/c25-21-9-3-16(4-10-21)14-28-15-20(22-2-1-11-27-23(22)28)12-19(13-26)17-5-7-18(8-6-17)24(29)30/h1-12,15H,14H2,(H,29,30)/b19-12+
PDB

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US Patent
n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50187691
PNG
(CHEMBL3828178 | US9951026, 1-1)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccc(F)cc2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H15ClFN3O2/c25-19-7-10-21-22(11-18(13-27)16-3-5-17(6-4-16)24(30)31)28-29(23(21)12-19)14-15-1-8-20(26)9-2-15/h1-12H,14H2,(H,30,31)/b18-11+
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Similars

US Patent
n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389140
PNG
(US9951026, 1-5)
Show SMILES Cn1ccc(Cn2nc(\C=C(/C#N)c3ccc(cc3)C(O)=O)c3ccc(Cl)cc23)n1
Show InChI InChI=1S/C22H16ClN5O2/c1-27-9-8-18(25-27)13-28-21-11-17(23)6-7-19(21)20(26-28)10-16(12-24)14-2-4-15(5-3-14)22(29)30/h2-11H,13H2,1H3,(H,29,30)/b16-10+
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389164
PNG
(US9951026, 5-1)
Show SMILES CCCn1cc(cn1)-n1c(C)c(\C=C(/C#N)c2ccc(cc2)C(O)=O)c2ccsc12
Show InChI InChI=1S/C23H20N4O2S/c1-3-9-26-14-19(13-25-26)27-15(2)21(20-8-10-30-22(20)27)11-18(12-24)16-4-6-17(7-5-16)23(28)29/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,28,29)/b18-11+
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389138
PNG
(US9951026, 1-3)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2cc(F)cc(F)c2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H14ClF2N3O2/c25-18-5-6-21-22(9-17(12-28)15-1-3-16(4-2-15)24(31)32)29-30(23(21)10-18)13-14-7-19(26)11-20(27)8-14/h1-11H,13H2,(H,31,32)/b17-9+
PDB

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n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389160
PNG
(US9951026, 3-3)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1cn(Cc2ccc(F)cc2)c2nc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H15ClFN3O2/c25-22-10-9-21-19(11-18(12-27)16-3-5-17(6-4-16)24(30)31)14-29(23(21)28-22)13-15-1-7-20(26)8-2-15/h1-11,14H,13H2,(H,30,31)/b18-11+
PDB

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US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389159
PNG
(US9951026, 3-2)
Show SMILES COc1ccc(Cn2cc(\C=C(/C#N)c3ccc(cc3)C(O)=O)c3cccnc23)cn1
Show InChI InChI=1S/C24H18N4O3/c1-31-22-9-4-16(13-27-22)14-28-15-20(21-3-2-10-26-23(21)28)11-19(12-25)17-5-7-18(8-6-17)24(29)30/h2-11,13,15H,14H2,1H3,(H,29,30)/b19-11+
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389139
PNG
(US9951026, 1-4)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C26H14ClF6N3O2/c27-20-5-6-21-22(9-17(12-34)15-1-3-16(4-2-15)24(37)38)35-36(23(21)11-20)13-14-7-18(25(28,29)30)10-19(8-14)26(31,32)33/h1-11H,13H2,(H,37,38)/b17-9+
PDB

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US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389143
PNG
(US9951026, 1-8)
Show SMILES OC(=O)c1ccc(\C=C\c2nn(Cc3ccc(F)cc3)c3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C23H16ClFN2O2/c24-18-8-11-20-21(12-5-15-1-6-17(7-2-15)23(28)29)26-27(22(20)13-18)14-16-3-9-19(25)10-4-16/h1-13H,14H2,(H,28,29)/b12-5+
PDB

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n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

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