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Patent code US11066409

Compile Data Set for Download or QSAR

Found 217 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505120
PNG
(US11066409, Compound I-0003)
Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2COCC(c3ccccc3)n12
Show InChI InChI=1S/C20H18ClN3O2/c1-13-16(21)8-5-9-17(13)22-20-23-19(25)10-15-11-26-12-18(24(15)20)14-6-3-2-4-7-14/h2-10,18H,11-12H2,1H3,(H,22,23,25)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505144
PNG
(US11066409, Compound I-0188)
Show SMILES CN1C2=NCC(N2C(NCc2ccccc2)=NC1=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C19H16F3N5O/c1-26-18-24-10-15(12-7-13(20)16(22)14(21)8-12)27(18)17(25-19(26)28)23-9-11-5-3-2-4-6-11/h2-8,15H,9-10H2,1H3,(H,23,25,28)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505179
PNG
(US11066409, Compound I-0038)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4cc(F)cc(F)c4)n23)c(C)c1
Show InChI InChI=1S/C21H19F2N3O2/c1-12-7-17(28-2)4-5-18(12)24-21-25-20(27)11-16-3-6-19(26(16)21)13-8-14(22)10-15(23)9-13/h4-5,7-11,19H,3,6H2,1-2H3,(H,24,25,27)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505237
PNG
(US11066409, Compound I-0099)
Show SMILES COc1cc(Nc2nc(=O)c(F)c3CCC(c4cc(F)cc(F)c4)n23)c(C)cc1F
Show InChI InChI=1S/C21H17F4N3O2/c1-10-5-14(24)18(30-2)9-15(10)26-21-27-20(29)19(25)17-4-3-16(28(17)21)11-6-12(22)8-13(23)7-11/h5-9,16H,3-4H2,1-2H3,(H,26,27,29)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505150
PNG
(US11066409, Compound I-0007)
Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2CCC(c3ccccc3)n12
Show InChI InChI=1S/C20H18ClN3O/c1-13-16(21)8-5-9-17(13)22-20-23-19(25)12-15-10-11-18(24(15)20)14-6-3-2-4-7-14/h2-9,12,18H,10-11H2,1H3,(H,22,23,25)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505147
PNG
(US11066409, Compound I-0002)
Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2OCC(c3ccccc3)n12
Show InChI InChI=1S/C19H16ClN3O2/c1-12-14(20)8-5-9-15(12)21-19-22-17(24)10-18-23(19)16(11-25-18)13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,21,22,24)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505170
PNG
(US11066409, Compound I-0028)
Show SMILES COc1cc(C)c(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1Cl
Show InChI InChI=1S/C21H20ClN3O2/c1-13-10-19(27-2)16(22)12-17(13)23-21-24-20(26)11-15-8-9-18(25(15)21)14-6-4-3-5-7-14/h3-7,10-12,18H,8-9H2,1-2H3,(H,23,24,26)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505180
PNG
(US11066409, Compound I-0039)
Show SMILES CCc1cc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)cc1OC
Show InChI InChI=1S/C23H25N3O2/c1-4-16-13-19(15(2)12-21(16)28-3)24-23-25-22(27)14-18-10-11-20(26(18)23)17-8-6-5-7-9-17/h5-9,12-14,20H,4,10-11H2,1-3H3,(H,24,25,27)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505168
PNG
(US11066409, Compound I-0026)
Show SMILES Cc1nc2cc(C)c(Nc3nc(=O)cc4CCC(c5ccc(F)cc5)n34)cc2s1
Show InChI InChI=1S/C22H19FN4OS/c1-12-9-18-20(29-13(2)24-18)11-17(12)25-22-26-21(28)10-16-7-8-19(27(16)22)14-3-5-15(23)6-4-14/h3-6,9-11,19H,7-8H2,1-2H3,(H,25,26,28)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505161
PNG
(US11066409, Compound I-0019)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1OC
Show InChI InChI=1S/C21H21N3O3/c1-26-18-11-8-15(12-19(18)27-2)22-21-23-20(25)13-16-9-10-17(24(16)21)14-6-4-3-5-7-14/h3-8,11-13,17H,9-10H2,1-2H3,(H,22,23,25)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505152
PNG
(US11066409, Compound I-0010)
Show SMILES COc1cc(C)c(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1OC
Show InChI InChI=1S/C22H23N3O3/c1-14-11-19(27-2)20(28-3)13-17(14)23-22-24-21(26)12-16-9-10-18(25(16)22)15-7-5-4-6-8-15/h4-8,11-13,18H,9-10H2,1-3H3,(H,23,24,26)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505262
PNG
(US11066409, Compound I-0128 | US11066409, Compound...)
Show SMILES COc1cc(Nc2nc(=O)cc3NCC(c4cc(F)cc(F)c4)n23)c(C)cc1F
Show InChI InChI=1S/C20H17F3N4O2/c1-10-3-14(23)17(29-2)7-15(10)25-20-26-19(28)8-18-24-9-16(27(18)20)11-4-12(21)6-13(22)5-11/h3-8,16,24H,9H2,1-2H3,(H,25,26,28)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505240
PNG
(US11066409, Compound I-0104 | US11066409, Compound...)
Show SMILES COc1ccc(Nc2nc(=O)cc3N(C)CC(c4ccccc4)n23)c(C)c1
Show InChI InChI=1S/C21H22N4O2/c1-14-11-16(27-3)9-10-17(14)22-21-23-19(26)12-20-24(2)13-18(25(20)21)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3,(H,22,23,26)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505207
PNG
(US11066409, Compound I-0067)
Show SMILES Cc1cc2COCc2cc1Nc1nc(=O)cc2CCC(c3ccc(F)cc3)n12
Show InChI InChI=1S/C22H20FN3O2/c1-13-8-15-11-28-12-16(15)9-19(13)24-22-25-21(27)10-18-6-7-20(26(18)22)14-2-4-17(23)5-3-14/h2-5,8-10,20H,6-7,11-12H2,1H3,(H,24,25,27)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505191
PNG
(US11066409, Compound I-0050)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4cccc(Cl)c4)n23)c(C)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-13-10-17(27-2)7-8-18(13)23-21-24-20(26)12-16-6-9-19(25(16)21)14-4-3-5-15(22)11-14/h3-5,7-8,10-12,19H,6,9H2,1-2H3,(H,23,24,26)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505190
PNG
(US11066409, Compound I-0049)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4cccc(F)c4)n23)c(C)c1
Show InChI InChI=1S/C21H20FN3O2/c1-13-10-17(27-2)7-8-18(13)23-21-24-20(26)12-16-6-9-19(25(16)21)14-4-3-5-15(22)11-14/h3-5,7-8,10-12,19H,6,9H2,1-2H3,(H,23,24,26)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505162
PNG
(US11066409, Compound I-0020)
Show SMILES COc1cc(C)c(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1C
Show InChI InChI=1S/C22H23N3O2/c1-14-12-20(27-3)15(2)11-18(14)23-22-24-21(26)13-17-9-10-19(25(17)22)16-7-5-4-6-8-16/h4-8,11-13,19H,9-10H2,1-3H3,(H,23,24,26)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505154
PNG
(US11066409, Compound I-0012)
Show SMILES Cc1cc(Nc2nc(=O)cc3CCC(c4ccc(F)c(Cl)c4)n23)c(C)cc1Cl
Show InChI InChI=1S/C21H18Cl2FN3O/c1-11-8-18(12(2)7-15(11)22)25-21-26-20(28)10-14-4-6-19(27(14)21)13-3-5-17(24)16(23)9-13/h3,5,7-10,19H,4,6H2,1-2H3,(H,25,26,28)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505153
PNG
(US11066409, Compound I-0011)
Show SMILES Cc1cc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)cc1Cl
Show InChI InChI=1S/C21H20ClN3O/c1-13-11-18(14(2)10-17(13)22)23-21-24-20(26)12-16-8-9-19(25(16)21)15-6-4-3-5-7-15/h3-7,10-12,19H,8-9H2,1-2H3,(H,23,24,26)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505151
PNG
(US11066409, Compound I-0008)
Show SMILES Cc1c(Cl)cccc1Nc1nc(=O)cc2CCC(c3cccc(Cl)c3)n12
Show InChI InChI=1S/C20H17Cl2N3O/c1-12-16(22)6-3-7-17(12)23-20-24-19(26)11-15-8-9-18(25(15)20)13-4-2-5-14(21)10-13/h2-7,10-11,18H,8-9H2,1H3,(H,23,24,26)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505216
PNG
(US11066409, Compound I-0077)
Show SMILES Cc1nc(OC(F)F)ccc1Nc1nc(=O)c(F)c2CCC(c3ccc(F)cc3)n12
Show InChI InChI=1S/C20H16F4N4O2/c1-10-13(6-9-16(25-10)30-19(23)24)26-20-27-18(29)17(22)15-8-7-14(28(15)20)11-2-4-12(21)5-3-11/h2-6,9,14,19H,7-8H2,1H3,(H,26,27,29)
PDB

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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505171
PNG
(US11066409, Compound I-0029)
Show SMILES Cc1nc2cc(C)c(Nc3nc(=O)cc4CC[C@@H](c5ccccc5)n34)cc2s1
Show InChI InChI=1S/C22H20N4OS/c1-13-10-18-20(28-14(2)23-18)12-17(13)24-22-25-21(27)11-16-8-9-19(26(16)22)15-6-4-3-5-7-15/h3-7,10-12,19H,8-9H2,1-2H3,(H,24,25,27)/t19-/m0/s1
PDB

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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505165
PNG
(US11066409, Compound I-0023)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccc(F)cc4)n23)c(C)c1
Show InChI InChI=1S/C21H20FN3O2/c1-13-11-17(27-2)8-9-18(13)23-21-24-20(26)12-16-7-10-19(25(16)21)14-3-5-15(22)6-4-14/h3-6,8-9,11-12,19H,7,10H2,1-2H3,(H,23,24,26)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505164
PNG
(US11066409, Compound I-0022)
Show SMILES COc1cc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)cc1F
Show InChI InChI=1S/C21H20FN3O2/c1-13-10-16(22)19(27-2)12-17(13)23-21-24-20(26)11-15-8-9-18(25(15)21)14-6-4-3-5-7-14/h3-7,10-12,18H,8-9H2,1-2H3,(H,23,24,26)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505195
PNG
(US11066409, Compound I-0054)
Show SMILES Cc1nc2cc(C)c(cc2s1)\N=c1/[nH]c(=O)c(F)c2CCC(c3ccc(F)cc3)n12
PDB

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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505199
PNG
(US11066409, Compound I-0058)
Show SMILES Cc1nc2cc(C)c(Nc3nc(=O)c(F)c4CCC(c5ccc(F)cc5F)n34)cc2s1
Show InChI InChI=1S/C22H17F3N4OS/c1-10-7-16-19(31-11(2)26-16)9-15(10)27-22-28-21(30)20(25)18-6-5-17(29(18)22)13-4-3-12(23)8-14(13)24/h3-4,7-9,17H,5-6H2,1-2H3,(H,27,28,30)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505169
PNG
(US11066409, Compound I-0027)
Show SMILES COc1cc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)cc1Cl
Show InChI InChI=1S/C21H20ClN3O2/c1-13-10-16(22)19(27-2)12-17(13)23-21-24-20(26)11-15-8-9-18(25(15)21)14-6-4-3-5-7-14/h3-7,10-12,18H,8-9H2,1-2H3,(H,23,24,26)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505182
PNG
(US11066409, Compound I-0041)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccc(F)c(F)c4)n23)c(C)c1
Show InChI InChI=1S/C21H19F2N3O2/c1-12-9-15(28-2)5-7-18(12)24-21-25-20(27)11-14-4-8-19(26(14)21)13-3-6-16(22)17(23)10-13/h3,5-7,9-11,19H,4,8H2,1-2H3,(H,24,25,27)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505184
PNG
(US11066409, Compound I-0043)
Show SMILES COc1nc(C)c(Nc2nc(=O)cc3CCC(c4ccccc4)n23)cc1C
Show InChI InChI=1S/C21H22N4O2/c1-13-11-17(14(2)22-20(13)27-3)23-21-24-19(26)12-16-9-10-18(25(16)21)15-7-5-4-6-8-15/h4-8,11-12,18H,9-10H2,1-3H3,(H,23,24,26)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505235
PNG
(US11066409, Compound I-0097)
Show SMILES COc1ccc(Nc2nc(=O)c(F)c3CCC(c4cc(F)cc(F)c4)n23)c(C)c1
Show InChI InChI=1S/C21H18F3N3O2/c1-11-7-15(29-2)3-4-16(11)25-21-26-20(28)19(24)18-6-5-17(27(18)21)12-8-13(22)10-14(23)9-12/h3-4,7-10,17H,5-6H2,1-2H3,(H,25,26,28)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505205
PNG
(US11066409, Compound I-0065)
Show SMILES Cc1cc(\N=c2/[nH]c(=O)cc3CCC(c4ccccc4)n23)c(C)cc1OC(F)F
PDB

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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505206
PNG
(US11066409, Compound I-0066)
Show SMILES Cc1cc2COCc2cc1Nc1nc(=O)cc2CCC(c3cc(F)cc(F)c3)n12
Show InChI InChI=1S/C22H19F2N3O2/c1-12-4-14-10-29-11-15(14)7-19(12)25-22-26-21(28)9-18-2-3-20(27(18)22)13-5-16(23)8-17(24)6-13/h4-9,20H,2-3,10-11H2,1H3,(H,25,26,28)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505130
PNG
(US11066409, Compound I-0107 | US11066409, Compound...)
Show SMILES CCN1C2=NCC(N2C(Nc2cc(C)c(C)cc2C)=NC1=O)c1ccccc1
Show InChI InChI=1S/C22H25N5O/c1-5-26-21-23-13-19(17-9-7-6-8-10-17)27(21)20(25-22(26)28)24-18-12-15(3)14(2)11-16(18)4/h6-12,19H,5,13H2,1-4H3,(H,24,25,28)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505155
PNG
(US11066409, Compound I-0013)
Show SMILES COc1cc(C)c(Nc2nc(=O)cc3CCC(c4ccc(F)c(Cl)c4)n23)cc1OC
Show InChI InChI=1S/C22H21ClFN3O3/c1-12-8-19(29-2)20(30-3)11-17(12)25-22-26-21(28)10-14-5-7-18(27(14)22)13-4-6-16(24)15(23)9-13/h4,6,8-11,18H,5,7H2,1-3H3,(H,25,26,28)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505156
PNG
(US11066409, Compound I-0014)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccccc4)n23)c(C)c1
Show InChI InChI=1S/C21H21N3O2/c1-14-12-17(26-2)9-10-18(14)22-21-23-20(25)13-16-8-11-19(24(16)21)15-6-4-3-5-7-15/h3-7,9-10,12-13,19H,8,11H2,1-2H3,(H,22,23,25)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505183
PNG
(US11066409, Compound I-0042)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4cc(F)c(F)c(F)c4)n23)c(C)c1
Show InChI InChI=1S/C21H18F3N3O2/c1-11-7-14(29-2)4-5-17(11)25-21-26-19(28)10-13-3-6-18(27(13)21)12-8-15(22)20(24)16(23)9-12/h4-5,7-10,18H,3,6H2,1-2H3,(H,25,26,28)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505178
PNG
(US11066409, Compound I-0037)
Show SMILES COc1ccc(Nc2nc(=O)cc3CCC(c4ccc(F)c(Cl)c4)n23)c(C)c1
Show InChI InChI=1S/C21H19ClFN3O2/c1-12-9-15(28-2)5-7-18(12)24-21-25-20(27)11-14-4-8-19(26(14)21)13-3-6-17(23)16(22)10-13/h3,5-7,9-11,19H,4,8H2,1-2H3,(H,24,25,27)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505213
PNG
(US11066409, Compound I-0074)
Show SMILES Cc1cc2COCc2cc1\N=c1/[nH]c(=O)c(F)c2CCC(c3ccc(F)cc3)n12
PDB

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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505219
PNG
(US11066409, Compound I-0080)
Show SMILES CCOc1ccc(\N=c2/[nH]c(=O)c(F)c3CCC(c4ccc(F)cc4)n23)c(C)n1
PDB

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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505236
PNG
(US11066409, Compound I-0098)
Show SMILES COc1ccc(C)c(Nc2nc(=O)c(F)c3CCC(c4cc(F)cc(F)c4)n23)c1
Show InChI InChI=1S/C21H18F3N3O2/c1-11-3-4-15(29-2)10-16(11)25-21-26-20(28)19(24)18-6-5-17(27(18)21)12-7-13(22)9-14(23)8-12/h3-4,7-10,17H,5-6H2,1-2H3,(H,25,26,28)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505125
PNG
(US11066409, Compound I-0069)
Show SMILES COc1ccc(\N=c2/[nH]c(=O)c(F)c3CCC(c4ccc(F)cc4)n23)c(C)n1
PDB

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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505124
PNG
(US11066409, Compound I-0059)
Show SMILES CCc1nc(OC)ccc1Nc1nc(=O)cc2CCC(c3cc(F)cc(F)c3)n12
Show InChI InChI=1S/C21H20F2N4O2/c1-3-16-17(5-7-20(24-16)29-2)25-21-26-19(28)11-15-4-6-18(27(15)21)12-8-13(22)10-14(23)9-12/h5,7-11,18H,3-4,6H2,1-2H3,(H,25,26,28)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505129
PNG
(US11066409, Compound I-0106)
Show SMILES CN1CC(c2ccccc2)n2c1cc(=O)nc2Nc1cc(C)c(C)cc1C
Show InChI InChI=1S/C22H24N4O/c1-14-10-16(3)18(11-15(14)2)23-22-24-20(27)12-21-25(4)13-19(26(21)22)17-8-6-5-7-9-17/h5-12,19H,13H2,1-4H3,(H,23,24,27)
PDB

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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505128
PNG
(US11066409, Compound I-0102)
Show SMILES Cc1cc2COCc2cc1Nc1nc(=O)c(F)c2CCC(c3cc(F)cc(F)c3)n12
Show InChI InChI=1S/C22H18F3N3O2/c1-11-4-13-9-30-10-14(13)7-17(11)26-22-27-21(29)20(25)19-3-2-18(28(19)22)12-5-15(23)8-16(24)6-12/h4-8,18H,2-3,9-10H2,1H3,(H,26,27,29)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505127
PNG
(US11066409, Compound I-0100)
Show SMILES Cc1nc2cc(C)c(Nc3nc(=O)cc4NCC(c5ccccc5)n34)cc2s1
Show InChI InChI=1S/C21H19N5OS/c1-12-8-16-18(28-13(2)23-16)9-15(12)24-21-25-20(27)10-19-22-11-17(26(19)21)14-6-4-3-5-7-14/h3-10,17,22H,11H2,1-2H3,(H,24,25,27)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505135
PNG
(US11066409, Compound I-0151)
Show SMILES COc1ccc(NC2=NC(=O)N(C)C3=NCC(N23)c2ccc(F)cc2)c(C)c1F
Show InChI InChI=1S/C20H19F2N5O2/c1-11-14(8-9-16(29-3)17(11)22)24-18-25-20(28)26(2)19-23-10-15(27(18)19)12-4-6-13(21)7-5-12/h4-9,15H,10H2,1-3H3,(H,24,25,28)
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US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505119
PNG
(US11066409, Compound I-0001)
Show SMILES O=c1cc2OCC(c3ccccc3)n2c(Nc2cccc3ncccc23)n1
Show InChI InChI=1S/C21H16N4O2/c26-19-12-20-25(18(13-27-20)14-6-2-1-3-7-14)21(24-19)23-17-10-4-9-16-15(17)8-5-11-22-16/h1-12,18H,13H2,(H,23,24,26)
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n/an/a 16n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505123
PNG
(US11066409, Compound I-0032)
Show SMILES COc1c2CCC(c3ccccc3)n2c(Nc2cc3sc(C)nc3cc2C)nc1=O
Show InChI InChI=1S/C23H22N4O2S/c1-13-11-17-20(30-14(2)24-17)12-16(13)25-23-26-22(28)21(29-3)19-10-9-18(27(19)23)15-7-5-4-6-8-15/h4-8,11-12,18H,9-10H2,1-3H3,(H,25,26,28)
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SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505126
PNG
(US11066409, Compound I-0091)
Show SMILES COc1ccc(Nc2nc(=O)c(C=C)c3CCC(c4cc(F)cc(F)c4)n23)c(C)n1
Show InChI InChI=1S/C22H20F2N4O2/c1-4-16-19-7-6-18(13-9-14(23)11-15(24)10-13)28(19)22(27-21(16)29)26-17-5-8-20(30-3)25-12(17)2/h4-5,8-11,18H,1,6-7H2,2-3H3,(H,26,27,29)
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n/an/a 17n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM505136
PNG
(US11066409, Compound I-0154)
Show SMILES CCc1nc(OC)ccc1NC1=NC(=O)N(C)C2=NCC(N12)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-4-13-14(5-6-16(25-13)31-3)26-18-27-20(30)28(2)19-24-9-15(29(18)19)10-7-11(21)17(23)12(22)8-10/h5-8,15H,4,9H2,1-3H3,(H,26,27,30)
PDB

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n/an/a 17n/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBa...


US Patent US11066409 (2021)

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