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Patent code US9636330

Compile Data Set for Download or QSAR
Found 15 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))
BDBM155300
PNG
(US9006246, 31(24) | US9636330, 31(24))
Show SMILES OC(=O)[C@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(Cl)cc2F)c2ncccc32)CC1
Show InChI InChI=1S/C26H27ClFN3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-
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n/an/a 5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155280
PNG
(US9006246, 12(97) | US9636330, 12(97))
Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1ccc(F)cc1F)c1ncccc21)C(O)=O
Show InChI InChI=1S/C25H27F2N3O3/c1-25(2,24(32)33)10-3-6-22(31)29-12-9-18-19-5-4-11-28-23(19)30(21(18)15-29)14-16-7-8-17(26)13-20(16)27/h4-5,7-8,11,13H,3,6,9-10,12,14-15H2,1-2H3,(H,32,33)
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n/an/a 6.70n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155341
PNG
(US9006246, 51(48) | US9636330, 51(48))
Show SMILES Cc1cc(CC(=O)N2CCc3c(C2)n(Cc2csc(Cl)c2)c2ncccc32)ccc1C(O)=O
Show InChI InChI=1S/C25H22ClN3O3S/c1-15-9-16(4-5-18(15)25(31)32)11-23(30)28-8-6-19-20-3-2-7-27-24(20)29(21(19)13-28)12-17-10-22(26)33-14-17/h2-5,7,9-10,14H,6,8,11-13H2,1H3,(H,31,32)
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n/an/a 7.80n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155279
PNG
(US9006246, 12(42) | US9636330, 12(42))
Show SMILES CC(C)(CCCC(=O)N1CCc2c(C1)n(Cc1ccc(Cl)s1)c1ncccc21)C(O)=O
Show InChI InChI=1S/C23H26ClN3O3S/c1-23(2,22(29)30)10-3-6-20(28)26-12-9-16-17-5-4-11-25-21(17)27(18(16)14-26)13-15-7-8-19(24)31-15/h4-5,7-8,11H,3,6,9-10,12-14H2,1-2H3,(H,29,30)
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n/an/a 9.60n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155303
PNG
(US9006246, 31(127) | US9636330, 31(127))
Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3cccc(F)c3)c3ncccc43)(CC1)CC2
Show InChI InChI=1S/C28H30FN3O3/c29-20-4-1-3-19(15-20)17-32-23-18-31(14-6-21(23)22-5-2-13-30-25(22)32)24(33)16-27-7-10-28(11-8-27,12-9-27)26(34)35/h1-5,13,15H,6-12,14,16-18H2,(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155306
PNG
(US9006246, 31(140) | US9636330, 31(140))
Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(Cl)cc3)c3ncccc43)(CC1)CC2
Show InChI InChI=1S/C28H30ClN3O3/c29-20-5-3-19(4-6-20)17-32-23-18-31(15-7-21(23)22-2-1-14-30-25(22)32)24(33)16-27-8-11-28(12-9-27,13-10-27)26(34)35/h1-6,14H,7-13,15-18H2,(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155310
PNG
(US9006246, 31(169) | US9636330, 31(169))
Show SMILES CC1(C)[C@@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)c(Cl)c2)c2ncccc32)CC[C@@]1(C)C(O)=O
Show InChI InChI=1S/C28H31ClFN3O3/c1-27(2)18(8-10-28(27,3)26(35)36)14-24(34)32-12-9-19-20-5-4-11-31-25(20)33(23(19)16-32)15-17-6-7-22(30)21(29)13-17/h4-7,11,13,18H,8-10,12,14-16H2,1-3H3,(H,35,36)/t18-,28+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155271
PNG
(US9006246, 9 | US9636330, 9(2))
Show SMILES OC(=O)CCCCC(=O)N1CCc2c(C1)n(CCC1CCCCC1)c1ncccc21
Show InChI InChI=1S/C24H33N3O3/c28-22(10-4-5-11-23(29)30)26-15-13-19-20-9-6-14-25-24(20)27(21(19)17-26)16-12-18-7-2-1-3-8-18/h6,9,14,18H,1-5,7-8,10-13,15-17H2,(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM325570
PNG
(US9636330, 48(9) | trans-4-{2-[9-(4-chlorobenzyl)-...)
Show SMILES CC1(CCC(CC(=O)N2CCc3c(C2)n(Cc2ccc(Cl)cc2)c2ncccc32)CC1)C(O)=O
Show InChI InChI=1S/C27H30ClN3O3/c1-27(26(33)34)11-8-18(9-12-27)15-24(32)30-14-10-21-22-3-2-13-29-25(22)31(23(21)17-30)16-19-4-6-20(28)7-5-19/h2-7,13,18H,8-12,14-17H2,1H3,(H,33,34)
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n/an/a 25n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM325569
PNG
( trans-4-{2-[9-(4-fluorobenzyl)-5,6,8,9-tetrahydro...)
Show SMILES CC1(CCC(CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2)c2ncccc32)CC1)C(O)=O
Show InChI InChI=1S/C27H30FN3O3/c1-27(26(33)34)11-8-18(9-12-27)15-24(32)30-14-10-21-22-3-2-13-29-25(22)31(23(21)17-30)16-19-4-6-20(28)7-5-19/h2-7,13,18H,8-12,14-17H2,1H3,(H,33,34)
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n/an/a 26n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155263
PNG
(US9006246, 3 | US9636330, 3)
Show SMILES OC(=O)CCCCC(=O)N1CCc2c(C1)n(CCCc1ccccc1)c1ccccc21
Show InChI InChI=1S/C26H30N2O3/c29-25(14-6-7-15-26(30)31)27-18-16-22-21-12-4-5-13-23(21)28(24(22)19-27)17-8-11-20-9-2-1-3-10-20/h1-5,9-10,12-13H,6-8,11,14-19H2,(H,30,31)
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n/an/a 34n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155321
PNG
(US9006246, 35(122) | US9636330, 35(122))
Show SMILES C[C@H]1CN(CC(=O)N2CCc3c(C2)n(Cc2ccc(Cl)s2)c2ccccc32)C[C@@H](C)N1CC(O)=O
Show InChI InChI=1S/C26H31ClN4O3S/c1-17-11-28(12-18(2)30(17)16-26(33)34)15-25(32)29-10-9-21-20-5-3-4-6-22(20)31(23(21)14-29)13-19-7-8-24(27)35-19/h3-8,17-18H,9-16H2,1-2H3,(H,33,34)/t17-,18+
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n/an/a 35n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM325562
PNG
(3-({2-[9-(3-fluorobenzyl)-5,6,8,9-tetrahydro-7H-py...)
Show SMILES CC(C)(CNCC(=O)N1CCc2c(C1)n(Cc1cccc(F)c1)c1ncccc21)C(O)=O
Show InChI InChI=1S/C24H27FN4O3/c1-24(2,23(31)32)15-26-12-21(30)28-10-8-18-19-7-4-9-27-22(19)29(20(18)14-28)13-16-5-3-6-17(25)11-16/h3-7,9,11,26H,8,10,12-15H2,1-2H3,(H,31,32)
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n/an/a 83n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM325558
PNG
(6-[9-(3-fluorobenzyl)-5,6,8,9-tetrahydro-7H-pyrido...)
Show SMILES OC(=O)CCCCC(=O)N1CCc2c(C1)n(Cc1cccc(F)c1)c1ncccc21
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-3-5-16(13-17)14-27-20-15-26(21(28)8-1-2-9-22(29)30)12-10-18(20)19-7-4-11-25-23(19)27/h3-7,11,13H,1-2,8-10,12,14-15H2,(H,29,30)
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n/an/a 91n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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


(Homo sapiens (Human))
BDBM155320
PNG
(US9006246, 35(2) | US9636330, 35(2))
Show SMILES OC(=O)C1CCCN(CC(=O)N2CCc3c(C2)n(Cc2cccc(F)c2)c2ncccc32)C1
Show InChI InChI=1S/C25H27FN4O3/c26-19-6-1-4-17(12-19)13-30-22-15-29(11-8-20(22)21-7-2-9-27-24(21)30)23(31)16-28-10-3-5-18(14-28)25(32)33/h1-2,4,6-7,9,12,18H,3,5,8,10-11,13-16H2,(H,32,33)
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n/an/a 110n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
10 μL of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 μL of a 5 μg/mL human ENPP2 solution (buffer A...


US Patent US9636330 (2017)

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