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Patent code US9969700

Compile Data Set for Download or QSAR
Found 8 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))
BDBM393615
PNG
(US09969700, 173)
Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C26H20ClN3O4S/c27-22-8-4-2-6-18(22)16-35(33,34)29-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)28-24(31)15-25(30)32/h1-14,29H,15-16H2,(H,28,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 64n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD.

US Patent


Assay Description
The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...


US Patent US9969700 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM393614
PNG
(US09969700, 48)
Show SMILES Ic1ccccc1CNc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C26H20IN3O2/c27-22-8-4-2-6-18(22)16-28-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)29-24(31)15-25(30)32/h1-14,28H,15-16H2,(H,29,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 430n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD.

US Patent


Assay Description
The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...


US Patent US9969700 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM393617
PNG
(US09969700, 197)
Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)C1=NCC(=O)Nc2c1ccc1ccccc21
Show InChI InChI=1S/C26H20ClN3O3S/c27-23-8-4-2-6-19(23)16-34(32,33)30-20-12-9-18(10-13-20)25-22-14-11-17-5-1-3-7-21(17)26(22)29-24(31)15-28-25/h1-14,30H,15-16H2,(H,29,31)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 440n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD.

US Patent


Assay Description
The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...


US Patent US9969700 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM393612
PNG
(5-[4-[(2-Chlorophenylacetyl)amino]phenyl]-1H-napht...)
Show SMILES Clc1ccccc1CC(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C27H20ClN3O3/c28-22-8-4-2-6-18(22)15-24(32)29-19-10-12-20(13-11-19)31-23-14-9-17-5-1-3-7-21(17)27(23)30-25(33)16-26(31)34/h1-14H,15-16H2,(H,29,32)(H,30,33)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 540n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD.

US Patent


Assay Description
The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...


US Patent US9969700 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM393616
PNG
(US09969700, 196)
Show SMILES CN(c1ccc(cc1)N1c2ccc3CCCCc3c2NC(=O)CC1=O)S(=O)(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C27H26ClN3O4S/c1-30(36(34,35)17-19-7-3-5-9-23(19)28)20-11-13-21(14-12-20)31-24-15-10-18-6-2-4-8-22(18)27(24)29-25(32)16-26(31)33/h3,5,7,9-15H,2,4,6,8,16-17H2,1H3,(H,29,32)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 970n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD.

US Patent


Assay Description
The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...


US Patent US9969700 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM393613
PNG
(US09969700, 20)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
Show InChI InChI=1S/C26H20N4O3/c31-23-16-24(32)30(22-15-10-17-6-4-5-9-21(17)25(22)29-23)20-13-11-19(12-14-20)28-26(33)27-18-7-2-1-3-8-18/h1-15H,16H2,(H,29,31)(H2,27,28,33)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD.

US Patent


Assay Description
The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...


US Patent US9969700 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM393619
PNG
(5-[4-(2-Iodobenzoyl)aminophenyl]-1,2,3,4,8,9,10,11...)
Show SMILES Ic1ccccc1CC(=O)Nc1ccc(cc1)N1C2CCC3CCCCC3C2NC(=O)CC1=O
Show InChI InChI=1S/C27H30IN3O3/c28-22-8-4-2-6-18(22)15-24(32)29-19-10-12-20(13-11-19)31-23-14-9-17-5-1-3-7-21(17)27(23)30-25(33)16-26(31)34/h2,4,6,8,10-13,17,21,23,27H,1,3,5,7,9,14-16H2,(H,29,32)(H,30,33)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



NIPPON CHEMIPHAR CO., LTD.

US Patent


Assay Description
The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...


US Patent US9969700 (2018)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/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/t14-,17-/m0/s1
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PC sid
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UniChem

Patents


Similars

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



NIPPON CHEMIPHAR CO., LTD.

US Patent


Assay Description
The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...


US Patent US9969700 (2018)

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