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Patent code US9873683

Compile Data Set for Download or QSAR
Found 43 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
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366072
PNG
(5-[4-[5-(2-Methoxybenzyl)-1H-tetrazol-1-yl]phenyl]...)
Show SMILES COc1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C28H22N6O3/c1-37-24-9-5-3-7-19(24)16-25-30-31-32-34(25)21-13-11-20(12-14-21)33-23-15-10-18-6-2-4-8-22(18)28(23)29-26(35)17-27(33)36/h2-15H,16-17H2,1H3,(H,29,35)
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US Patent
n/an/a 25n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366073
PNG
(5-[4-[5-(2-Hydroxybenzyl)-1H-tetrazol-1-yl]phenyl]...)
Show SMILES Oc1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C27H20N6O3/c34-23-8-4-2-6-18(23)15-24-29-30-31-33(24)20-12-10-19(11-13-20)32-22-14-9-17-5-1-3-7-21(17)27(22)28-25(35)16-26(32)36/h1-14,34H,15-16H2,(H,28,35)
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n/an/a 37n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366069
PNG
(US9873683, Example 79)
Show SMILES Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C29H25FN4O2/c30-21-5-1-3-19(17-21)7-14-26-31-15-16-33(26)22-9-11-23(12-10-22)34-25-13-8-20-4-2-6-24(20)29(25)32-27(35)18-28(34)36/h1,3,5,8-13,15-17H,2,4,6-7,14,18H2,(H,32,35)
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n/an/a 39n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366075
PNG
(5-[4-(5-Phenethyl-1H-tetrazol-1-yl)phenyl]-1H-naph...)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2nnnc2CCc2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C28H22N6O2/c35-26-18-27(36)33(24-16-11-20-8-4-5-9-23(20)28(24)29-26)21-12-14-22(15-13-21)34-25(30-31-32-34)17-10-19-6-2-1-3-7-19/h1-9,11-16H,10,17-18H2,(H,29,35)
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n/an/a 44n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365870
PNG
(US9873683, Example 31)
Show SMILES Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C30H23FN4O2/c31-22-6-3-4-20(18-22)8-15-27-32-16-17-34(27)23-10-12-24(13-11-23)35-26-14-9-21-5-1-2-7-25(21)30(26)33-28(36)19-29(35)37/h1-7,9-14,16-18H,8,15,19H2,(H,33,36)
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n/an/a 51n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366062
PNG
(US9873683, Example 67)
Show SMILES Fc1ccccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3CCCc3c2NC(=O)CC1=O
Show InChI InChI=1S/C29H25FN4O2/c30-24-7-2-1-4-20(24)9-15-26-31-16-17-33(26)21-10-12-22(13-11-21)34-25-14-8-19-5-3-6-23(19)29(25)32-27(35)18-28(34)36/h1-2,4,7-8,10-14,16-17H,3,5-6,9,15,18H2,(H,32,35)
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n/an/a 53n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366049
PNG
(US9873683, Example 43)
Show SMILES Oc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C30H24N4O3/c35-24-6-3-4-20(18-24)8-15-27-31-16-17-33(27)22-10-12-23(13-11-22)34-26-14-9-21-5-1-2-7-25(21)30(26)32-28(36)19-29(34)37/h1-7,9-14,16-18,35H,8,15,19H2,(H,32,36)
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n/an/a 53n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366057
PNG
(US9873683, Example 61)
Show SMILES COc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C30H28N4O3/c1-37-24-6-2-4-20(18-24)8-15-27-31-16-17-33(27)22-10-12-23(13-11-22)34-26-14-9-21-5-3-7-25(21)30(26)32-28(35)19-29(34)36/h2,4,6,9-14,16-18H,3,5,7-8,15,19H2,1H3,(H,32,35)
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n/an/a 74n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366078
PNG
(5-[6-[5-(2-Hydroxybenzyl)-1H-tetrazol-1-yl]pyridin...)
Show SMILES Oc1ccccc1Cc1nnnn1-c1ccc(cn1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C26H19N7O3/c34-21-8-4-2-6-17(21)13-23-29-30-31-33(23)22-12-10-18(15-27-22)32-20-11-9-16-5-1-3-7-19(16)26(20)28-24(35)14-25(32)36/h1-12,15,34H,13-14H2,(H,28,35)
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n/an/a 77n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365827
PNG
(US9873683, Example 27)
Show SMILES Oc1cccc(CCn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C30H24N4O3/c35-24-6-3-4-20(18-24)14-16-33-17-15-31-30(33)22-8-11-23(12-9-22)34-26-13-10-21-5-1-2-7-25(21)29(26)32-27(36)19-28(34)37/h1-13,15,17-18,35H,14,16,19H2,(H,32,36)
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n/an/a 78n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366077
PNG
(5-[4-(2-Phenethyl-1H-imidazol-1-yl)phenyl]-1H-naph...)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C30H24N4O2/c35-28-20-29(36)34(26-16-11-22-8-4-5-9-25(22)30(26)32-28)24-14-12-23(13-15-24)33-19-18-31-27(33)17-10-21-6-2-1-3-7-21/h1-9,11-16,18-19H,10,17,20H2,(H,32,35)
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n/an/a 78n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365950
PNG
(US9873683, Example 37)
Show SMILES Cc1cccc(C)c1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C32H28N4O2/c1-21-6-5-7-22(2)26(21)15-17-29-33-18-19-35(29)24-11-13-25(14-12-24)36-28-16-10-23-8-3-4-9-27(23)32(28)34-30(37)20-31(36)38/h3-14,16,18-19H,15,17,20H2,1-2H3,(H,34,37)
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n/an/a 79n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365816
PNG
(US9873683, Example 25)
Show SMILES COc1cccc(CCn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C31H26N4O3/c1-38-25-7-4-5-21(19-25)15-17-34-18-16-32-31(34)23-9-12-24(13-10-23)35-27-14-11-22-6-2-3-8-26(22)30(27)33-28(36)20-29(35)37/h2-14,16,18-19H,15,17,20H2,1H3,(H,33,36)
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n/an/a 82n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366071
PNG
(US9873683, Example 83)
Show SMILES COc1c(F)cccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C31H25FN4O3/c1-39-31-21(6-4-8-25(31)32)10-16-27-33-17-18-35(27)22-11-13-23(14-12-22)36-26-15-9-20-5-2-3-7-24(20)30(26)34-28(37)19-29(36)38/h2-9,11-15,17-18H,10,16,19H2,1H3,(H,34,37)
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n/an/a 87n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366058
PNG
(US9873683, Example 62)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccsc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C28H22N4O2S/c33-26-17-27(34)32(24-11-6-20-3-1-2-4-23(20)28(24)30-26)22-9-7-21(8-10-22)31-15-14-29-25(31)12-5-19-13-16-35-18-19/h1-4,6-11,13-16,18H,5,12,17H2,(H,30,33)
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n/an/a 88n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365756
PNG
(US9873683, Example 22)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-c2nccn2CCc2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C30H24N4O2/c35-27-20-28(36)34(26-15-12-22-8-4-5-9-25(22)29(26)32-27)24-13-10-23(11-14-24)30-31-17-19-33(30)18-16-21-6-2-1-3-7-21/h1-15,17,19H,16,18,20H2,(H,32,35)
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n/an/a 91n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366048
PNG
(US9873683, Example 42)
Show SMILES COc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C31H26N4O3/c1-38-25-7-4-5-21(19-25)9-16-28-32-17-18-34(28)23-11-13-24(14-12-23)35-27-15-10-22-6-2-3-8-26(22)31(27)33-29(36)20-30(35)37/h2-8,10-15,17-19H,9,16,20H2,1H3,(H,33,36)
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n/an/a 92n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366050
PNG
(US9873683, Example 47)
Show SMILES CN(C)c1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C29H25N7O2/c1-34(2)24-10-6-4-8-20(24)17-26-31-32-33-36(26)22-14-12-21(13-15-22)35-25-16-11-19-7-3-5-9-23(19)29(25)30-27(37)18-28(35)38/h3-16H,17-18H2,1-2H3,(H,30,37)
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n/an/a 94n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366056
PNG
(US9873683, Example 57)
Show SMILES NC(=O)c1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C31H25N5O3/c32-31(39)22-6-3-4-20(18-22)8-15-27-33-16-17-35(27)23-10-12-24(13-11-23)36-26-14-9-21-5-1-2-7-25(21)30(26)34-28(37)19-29(36)38/h1-7,9-14,16-18H,8,15,19H2,(H2,32,39)(H,34,37)
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n/an/a 130n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366060
PNG
(US9873683, Example 65)
Show SMILES Oc1cc(ccc1-c1nccn1CCc1ccccc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C30H24N4O3/c35-26-18-22(11-12-24(26)30-31-15-17-33(30)16-14-20-6-2-1-3-7-20)34-25-13-10-21-8-4-5-9-23(21)29(25)32-27(36)19-28(34)37/h1-13,15,17-18,35H,14,16,19H2,(H,32,36)
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n/an/a 130n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365944
PNG
(US9873683, Example 32)
Show SMILES COc1ccccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C31H26N4O3/c1-38-27-9-5-3-7-22(27)11-17-28-32-18-19-34(28)23-12-14-24(15-13-23)35-26-16-10-21-6-2-4-8-25(21)31(26)33-29(36)20-30(35)37/h2-10,12-16,18-19H,11,17,20H2,1H3,(H,33,36)
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n/an/a 180n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366054
PNG
(US9873683, Example 54)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccccc2C#N)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C31H23N5O2/c32-20-23-7-2-1-5-21(23)10-16-28-33-17-18-35(28)24-11-13-25(14-12-24)36-27-15-9-22-6-3-4-8-26(22)31(27)34-29(37)19-30(36)38/h1-9,11-15,17-18H,10,16,19H2,(H,34,37)
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n/an/a 190n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365840
PNG
(US9873683, Example 30)
Show SMILES Cc1cccc(CCc2nnnn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)n1
Show InChI InChI=1S/C28H23N7O2/c1-18-5-4-7-20(29-18)10-16-25-31-32-33-35(25)22-13-11-21(12-14-22)34-24-15-9-19-6-2-3-8-23(19)28(24)30-26(36)17-27(34)37/h2-9,11-15H,10,16-17H2,1H3,(H,30,36)
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n/an/a 270n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365785
PNG
(US9873683, Example 23)
Show SMILES Clc1ccc(Cn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)cc1
Show InChI InChI=1S/C29H21ClN4O2/c30-22-10-5-19(6-11-22)18-33-16-15-31-29(33)21-7-12-23(13-8-21)34-25-14-9-20-3-1-2-4-24(20)28(25)32-26(35)17-27(34)36/h1-16H,17-18H2,(H,32,35)
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n/an/a 300n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366076
PNG
(5-[4-[5-(2-Methoxybenzyl)-1H-tetrazol-1-yl]phenyl]...)
Show SMILES COc1ccccc1Cc1nnnn1-c1ccc(cc1)C1=NCC(=O)Nc2c1ccc1ccccc21
Show InChI InChI=1S/C28H22N6O2/c1-36-24-9-5-3-7-20(24)16-25-31-32-33-34(25)21-13-10-19(11-14-21)27-23-15-12-18-6-2-4-8-22(18)28(23)30-26(35)17-29-27/h2-15H,16-17H2,1H3,(H,30,35)
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n/an/a 320n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366067
PNG
(US9873683, Example 73)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-c2cn(CCc3ccccc3)cn2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C30H24N4O2/c35-28-18-29(36)34(27-15-12-22-8-4-5-9-25(22)30(27)32-28)24-13-10-23(11-14-24)26-19-33(20-31-26)17-16-21-6-2-1-3-7-21/h1-15,19-20H,16-18H2,(H,32,35)
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n/an/a 320n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366055
PNG
(US9873683, Example 55)
Show SMILES NC(=O)c1ccccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C31H25N5O3/c32-31(39)25-8-4-2-6-21(25)10-16-27-33-17-18-35(27)22-11-13-23(14-12-22)36-26-15-9-20-5-1-3-7-24(20)30(26)34-28(37)19-29(36)38/h1-9,11-15,17-18H,10,16,19H2,(H2,32,39)(H,34,37)
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n/an/a 340n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366074
PNG
(5-[4-[5-[2-(Pyridin-3-yl)ethyl]-1H-tetrazol-1-yl]p...)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2nnnc2CCc2cccnc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C27H21N7O2/c35-25-16-26(36)33(23-13-8-19-5-1-2-6-22(19)27(23)29-25)20-9-11-21(12-10-20)34-24(30-31-32-34)14-7-18-4-3-15-28-17-18/h1-6,8-13,15,17H,7,14,16H2,(H,29,35)
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n/an/a 380n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366059
PNG
(US9873683, Example 64)
Show SMILES COc1cc(ccc1-c1nccn1CCc1ccccc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C31H26N4O3/c1-38-27-19-23(12-13-25(27)31-32-16-18-34(31)17-15-21-7-3-2-4-8-21)35-26-14-11-22-9-5-6-10-24(22)30(26)33-28(36)20-29(35)37/h2-14,16,18-19H,15,17,20H2,1H3,(H,33,36)
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n/an/a 520n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM365989
PNG
(US9873683, Example 38)
Show SMILES FC(F)(F)c1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C31H23F3N4O2/c32-31(33,34)22-6-3-4-20(18-22)8-15-27-35-16-17-37(27)23-10-12-24(13-11-23)38-26-14-9-21-5-1-2-7-25(21)30(26)36-28(39)19-29(38)40/h1-7,9-14,16-18H,8,15,19H2,(H,36,39)
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n/an/a 550n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366061
PNG
(US9873683, Example 66)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccco2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C28H22N4O3/c33-26-18-27(34)32(24-13-7-19-4-1-2-6-23(19)28(24)30-26)21-10-8-20(9-11-21)31-16-15-29-25(31)14-12-22-5-3-17-35-22/h1-11,13,15-17H,12,14,18H2,(H,30,33)
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n/an/a 550n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366053
PNG
(US9873683, Example 53)
Show SMILES NC(=O)c1ccccc1Cn1ccnc1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C30H23N5O3/c31-29(38)24-8-4-2-6-21(24)18-34-16-15-32-30(34)20-9-12-22(13-10-20)35-25-14-11-19-5-1-3-7-23(19)28(25)33-26(36)17-27(35)37/h1-16H,17-18H2,(H2,31,38)(H,33,36)
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n/an/a 590n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366065
PNG
(US9873683, Example 71)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccccn2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C29H23N5O2/c35-27-19-28(36)34(25-14-8-20-5-1-2-7-24(20)29(25)32-27)23-12-10-22(11-13-23)33-18-17-31-26(33)15-9-21-6-3-4-16-30-21/h1-8,10-14,16-18H,9,15,19H2,(H,32,35)
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n/an/a 590n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366046
PNG
(US9873683, Example 40)
Show SMILES O=C1CN=C(c2ccc(cc2)-n2nnnc2CCc2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C28H22N6O/c35-26-18-29-27(24-16-13-20-8-4-5-9-23(20)28(24)30-26)21-11-14-22(15-12-21)34-25(31-32-33-34)17-10-19-6-2-1-3-7-19/h1-9,11-16H,10,17-18H2,(H,30,35)
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n/an/a 630n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366047
PNG
(US9873683, Example 41)
Show SMILES O=C1CN=C(c2ccc(cc2)-n2ccnc2CCc2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C30H24N4O/c35-28-20-32-29(26-16-13-22-8-4-5-9-25(22)30(26)33-28)23-11-14-24(15-12-23)34-19-18-31-27(34)17-10-21-6-2-1-3-7-21/h1-9,11-16,18-19H,10,17,20H2,(H,33,35)
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n/an/a 650n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366063
PNG
(US9873683, Example 68)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2COc2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C29H22N4O3/c34-27-18-28(35)33(25-15-10-20-6-4-5-9-24(20)29(25)31-27)22-13-11-21(12-14-22)32-17-16-30-26(32)19-36-23-7-2-1-3-8-23/h1-17H,18-19H2,(H,31,34)
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n/an/a 790n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366070
PNG
(US9873683, Example 80)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CNc2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C29H23N5O2/c35-27-18-28(36)34(25-15-10-20-6-4-5-9-24(20)29(25)32-27)23-13-11-22(12-14-23)33-17-16-30-26(33)19-31-21-7-2-1-3-8-21/h1-17,31H,18-19H2,(H,32,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366052
PNG
(US9873683, Example 51)
Show SMILES COc1ccccc1-c1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C29H22N4O3/c1-36-25-9-5-4-8-23(25)29-30-16-17-32(29)20-11-13-21(14-12-20)33-24-15-10-19-6-2-3-7-22(19)28(24)31-26(34)18-27(33)35/h2-17H,18H2,1H3,(H,31,34)
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n/an/a 1.70E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366068
PNG
(US9873683, Example 74)
Show SMILES CC1(C)CN(C(CCc2ccccc2)=N1)c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C32H30N4O2/c1-32(2)21-35(28(34-32)19-12-22-8-4-3-5-9-22)24-14-16-25(17-15-24)36-27-18-13-23-10-6-7-11-26(23)31(27)33-29(37)20-30(36)38/h3-11,13-18H,12,19-21H2,1-2H3,(H,33,37)
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n/an/a 2.50E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366066
PNG
(US9873683, Example 72)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-c2nc[nH]c2-c2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C28H20N4O2/c33-24-16-25(34)32(23-15-12-18-6-4-5-9-22(18)28(23)31-24)21-13-10-20(11-14-21)27-26(29-17-30-27)19-7-2-1-3-8-19/h1-15,17H,16H2,(H,29,30)(H,31,33)
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n/an/a 3.40E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366051
PNG
(US9873683, Example 50)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2-c2ccccc2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C28H20N4O2/c33-25-18-26(34)32(24-15-10-19-6-4-5-9-23(19)27(24)30-25)22-13-11-21(12-14-22)31-17-16-29-28(31)20-7-2-1-3-8-20/h1-17H,18H2,(H,30,33)
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n/an/a 3.70E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM86422
PNG
(CAS_61869-08-7 | NSC_43815 | PAROXETINE | US987368...)
Show SMILES Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
Show InChI InChI=1/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
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PC cid
PC sid
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UniChem

Patents


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US Patent
n/an/a 4.00E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM366064
PNG
(US9873683, Example 69)
Show SMILES CC(C)(Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O)c1ccccn1
Show InChI InChI=1S/C29H25N7O2/c1-29(2,24-9-5-6-16-30-24)18-25-32-33-34-36(25)21-13-11-20(12-14-21)35-23-15-10-19-7-3-4-8-22(19)28(23)31-26(37)17-27(35)38/h3-16H,17-18H2,1-2H3,(H,31,37)
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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.40E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD; KYUSHU UNIVERSITY

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)

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