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Patent code US9102591

Compile Data Set for Download or QSAR

Found 244 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 7


(Homo sapiens (Human))
BDBM173706
PNG
(US9102591, (+)2-chloro-N-[3-[1-(trifluoromethyl)cy...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF6N2O/c21-15-4-2-1-3-14(15)17(30)29-11-13(9-18(7-8-18)20(25,26)27)12-5-6-16(28-10-12)19(22,23)24/h1-6,10,13H,7-9,11H2,(H,29,30)
PDB

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US Patent
n/an/a 0.0900n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173649
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
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US Patent
n/an/a 0.280n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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US Patent
n/an/a 0.310n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173682
PNG
(US9102591, 2-chloro-N-((4,4-difluoro-1-(6-(trifluo...)
Show SMILES Cc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C21H20ClF5N2O/c1-13-3-2-4-15(17(13)22)18(30)29-12-19(7-9-20(23,24)10-8-19)14-5-6-16(28-11-14)21(25,26)27/h2-6,11H,7-10,12H2,1H3,(H,29,30)
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US Patent
n/an/a 0.540n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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US Patent
n/an/a 0.550n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173739
PNG
(US9102591, (+)2,6-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-2-1-3-15(21)17(14)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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US Patent
n/an/a 0.710n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173681
PNG
(US9102591, 3-bromo-N-((4,4-difluoro-1-(6-(trifluor...)
Show SMILES Cc1c(Br)cccc1C(=O)NCC1(CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H20BrF5N2O/c1-13-15(3-2-4-16(13)22)18(30)29-12-19(7-9-20(23,24)10-8-19)14-5-6-17(28-11-14)21(25,26)27/h2-6,11H,7-10,12H2,1H3,(H,29,30)
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US Patent
n/an/a 0.710n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173651
PNG
(US9102591, 2-chloro-N-[[4,4-difluoro-1-(6-fluoro-3...)
Show SMILES Cc1ccc(Cl)c(c1)C(=O)NCC1(CCC(F)(F)CC1)c1ccc(F)nc1
Show InChI InChI=1S/C20H20ClF3N2O/c1-13-2-4-16(21)15(10-13)18(27)26-12-19(6-8-20(23,24)9-7-19)14-3-5-17(22)25-11-14/h2-5,10-11H,6-9,12H2,1H3,(H,26,27)
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US Patent
n/an/a 0.760n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173694
PNG
(US9102591, 2,3-dichloro-N-[2-(6-cyclopropyl-3-pyri...)
Show SMILES FC(F)C1(CC(CNC(=O)c2cccc(Cl)c2Cl)c2ccc(nc2)C2CC2)CC1
Show InChI InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-12-15(10-22(8-9-22)21(25)26)14-6-7-18(27-11-14)13-4-5-13/h1-3,6-7,11,13,15,21H,4-5,8-10,12H2,(H,28,29)
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US Patent
n/an/a 0.760n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173753
PNG
(US9102591, (+)2,6-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1
Show InChI InChI=1S/C18H16Cl2F3N3O/c19-13-2-1-3-14(20)15(13)16(27)24-7-11(6-10-4-5-10)12-8-25-17(26-9-12)18(21,22)23/h1-3,8-11H,4-7H2,(H,24,27)
PDB

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US Patent
n/an/a 0.820n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173661
PNG
(US9102591, 2-chloro-N-((4,4-difluoro-1-(6-fluoropy...)
Show SMILES COc1ccc(Cl)c(c1)C(=O)NCC1(CCC(F)(F)CC1)c1ccc(F)nc1
Show InChI InChI=1S/C20H20ClF3N2O2/c1-28-14-3-4-16(21)15(10-14)18(27)26-12-19(6-8-20(23,24)9-7-19)13-2-5-17(22)25-11-13/h2-5,10-11H,6-9,12H2,1H3,(H,26,27)
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US Patent
n/an/a 0.830n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173710
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C18H16Cl2F3N3O/c19-14-3-1-2-13(15(14)20)16(27)24-7-11(6-10-4-5-10)12-8-25-17(26-9-12)18(21,22)23/h1-3,8-11H,4-7H2,(H,24,27)
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US Patent
n/an/a 0.860n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173710
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C18H16Cl2F3N3O/c19-14-3-1-2-13(15(14)20)16(27)24-7-11(6-10-4-5-10)12-8-25-17(26-9-12)18(21,22)23/h1-3,8-11H,4-7H2,(H,24,27)
PDB

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US Patent
n/an/a 0.880n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173739
PNG
(US9102591, (+)2,6-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-2-1-3-15(21)17(14)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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US Patent
n/an/a 0.890n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173775
PNG
(US9102591, 2,3-dichloro-N-[[4,4-difluoro-1-[2-(tri...)
Show SMILES FC(F)(F)c1ncc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H16Cl2F5N3O/c20-13-3-1-2-12(14(13)21)15(30)29-10-17(4-6-18(22,23)7-5-17)11-8-27-16(28-9-11)19(24,25)26/h1-3,8-9H,4-7,10H2,(H,29,30)
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US Patent
n/an/a 0.950n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173668
PNG
(US9102591, 2,3-dichloro-N-((4,4-difluoro-1-(6-meth...)
Show SMILES COc1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C20H20Cl2F2N2O2/c1-28-16-6-5-13(11-25-16)19(7-9-20(23,24)10-8-19)12-26-18(27)14-3-2-4-15(21)17(14)22/h2-6,11H,7-10,12H2,1H3,(H,26,27)
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US Patent
n/an/a 0.960n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173643
PNG
(US9102591, 2,3-Dichloro-N-[4-methyl-2-(6-methyl-py...)
Show SMILES CC(C)CC(CNC(=O)c1cccc(Cl)c1Cl)c1ccc(C)nc1
Show InChI InChI=1S/C19H22Cl2N2O/c1-12(2)9-15(14-8-7-13(3)22-10-14)11-23-19(24)16-5-4-6-17(20)18(16)21/h4-8,10,12,15H,9,11H2,1-3H3,(H,23,24)
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US Patent
n/an/a 1n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173826
PNG
(US9102591, (+)2,3-dichloro-N-[2-(4-fluorophenyl)-2...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H13Cl2F4N3O/c21-16-3-1-2-14(17(16)22)18(30)27-10-15(11-4-6-13(23)7-5-11)12-8-28-19(29-9-12)20(24,25)26/h1-9,15H,10H2,(H,27,30)
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US Patent
n/an/a 1.10n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173665
PNG
(US9102591, 2,3-dichloro-N-((4,4-difluoro-1-(6-(tri...)
Show SMILES FC(F)(F)c1ccc(cn1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C20H17Cl2F5N2O/c21-14-3-1-2-13(16(14)22)17(30)29-11-18(6-8-19(23,24)9-7-18)12-4-5-15(28-10-12)20(25,26)27/h1-5,10H,6-9,11H2,(H,29,30)
PDB

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US Patent
n/an/a 1.20n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173652
PNG
(US9102591, 2-chloro-N-[[4,4-difluoro-1-(6-fluoro-3...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cc(ccc2Cl)C(F)(F)F)CCC(F)(F)CC1
Show InChI InChI=1S/C20H17ClF6N2O/c21-15-3-1-12(20(25,26)27)9-14(15)17(30)29-11-18(5-7-19(23,24)8-6-18)13-2-4-16(22)28-10-13/h1-4,9-10H,5-8,11H2,(H,29,30)
PDB

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US Patent
n/an/a 1.20n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173826
PNG
(US9102591, (+)2,3-dichloro-N-[2-(4-fluorophenyl)-2...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H13Cl2F4N3O/c21-16-3-1-2-14(17(16)22)18(30)27-10-15(11-4-6-13(23)7-5-11)12-8-28-19(29-9-12)20(24,25)26/h1-9,15H,10H2,(H,27,30)
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n/an/a 1.20n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173674
PNG
(US9102591, 2,3-dichloro-N-((4,4-difluoro-1-(5-fluo...)
Show SMILES Fc1cncc(c1)C1(CNC(=O)c2cccc(Cl)c2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-15-3-1-2-14(16(15)21)17(27)26-11-18(4-6-19(23,24)7-5-18)12-8-13(22)10-25-9-12/h1-3,8-10H,4-7,11H2,(H,26,27)
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n/an/a 1.20n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173739
PNG
(US9102591, (+)2,6-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-14-2-1-3-15(21)17(14)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 1.20n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173667
PNG
(US9102591, 2,3-dichloro-N-((1-(6-cyclopropylpyridi...)
Show SMILES FC1(F)CCC(CNC(=O)c2cccc(Cl)c2Cl)(CC1)c1ccc(nc1)C1CC1
Show InChI InChI=1S/C22H22Cl2F2N2O/c23-17-3-1-2-16(19(17)24)20(29)28-13-21(8-10-22(25,26)11-9-21)15-6-7-18(27-12-15)14-4-5-14/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,28,29)
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n/an/a 1.30n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173733
PNG
(US9102591, 2-chloro-N-((4,4-difluoro-1-(6-(trifluo...)
Show SMILES Fc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C20H17ClF6N2O/c21-16-13(2-1-3-14(16)22)17(30)29-11-18(6-8-19(23,24)9-7-18)12-4-5-15(28-10-12)20(25,26)27/h1-5,10H,6-9,11H2,(H,29,30)
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n/an/a 1.40n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173761
PNG
(US9102591, (+)N-[3-cyclopropyl-2-[2-(trifluorometh...)
Show SMILES COc1cccc(C(=O)NCC(CC2CC2)c2cnc(nc2)C(F)(F)F)c1C
Show InChI InChI=1S/C20H22F3N3O2/c1-12-16(4-3-5-17(12)28-2)18(27)24-9-14(8-13-6-7-13)15-10-25-19(26-11-15)20(21,22)23/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,27)
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n/an/a 1.40n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173687
PNG
(US9102591, (+)2,3-dichloro-N-[2-(2-methylpyrimidin...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H18Cl2F3N3O/c1-11-25-9-13(10-26-11)12(7-18(5-6-18)19(22,23)24)8-27-17(28)14-3-2-4-15(20)16(14)21/h2-4,9-10,12H,5-8H2,1H3,(H,27,28)
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n/an/a 1.5n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173678
PNG
(US9102591, N-((4,4-difluoro-1-(6-(trifluoromethyl)...)
Show SMILES COc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1C
Show InChI InChI=1S/C22H23F5N2O2/c1-14-16(4-3-5-17(14)31-2)19(30)29-13-20(8-10-21(23,24)11-9-20)15-6-7-18(28-12-15)22(25,26)27/h3-7,12H,8-11,13H2,1-2H3,(H,29,30)
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n/an/a 1.60n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173697
PNG
(US9102591, 2,3-dichloro-N-[3-[1-(difluoromethyl)cy...)
Show SMILES FC(F)C1(CC(CNC(=O)c2cccc(Cl)c2Cl)c2ccc(nc2)C(F)(F)F)CC1
Show InChI InChI=1S/C20H17Cl2F5N2O/c21-14-3-1-2-13(16(14)22)17(30)29-10-12(8-19(6-7-19)18(23)24)11-4-5-15(28-9-11)20(25,26)27/h1-5,9,12,18H,6-8,10H2,(H,29,30)
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n/an/a 1.60n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173796
PNG
(US9102591, (+)2,3-dichloro-N-[3-[1-(trifluoromethy...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H15Cl2F6N3O/c20-13-3-1-2-12(14(13)21)15(31)28-7-10(6-17(4-5-17)19(25,26)27)11-8-29-16(30-9-11)18(22,23)24/h1-3,8-10H,4-7H2,(H,28,31)
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n/an/a 1.60n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173749
PNG
(US9102591, 2,3-dichloro-N-[2-(4-chlorophenyl)-2-te...)
Show SMILES Clc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)C1CCOCC1
Show InChI InChI=1S/C20H20Cl3NO2/c21-15-6-4-13(5-7-15)17(14-8-10-26-11-9-14)12-24-20(25)16-2-1-3-18(22)19(16)23/h1-7,14,17H,8-12H2,(H,24,25)
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n/an/a 1.60n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173834
PNG
(US9102591, (+)2-chloro-3-fluoro-N-[2-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(F)c1Cl)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H13ClF5N3O/c21-17-14(2-1-3-16(17)23)18(30)27-10-15(11-4-6-13(22)7-5-11)12-8-28-19(29-9-12)20(24,25)26/h1-9,15H,10H2,(H,27,30)
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n/an/a 1.80n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173848
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C18H17Cl2F2N3O/c19-14-3-1-2-13(15(14)20)18(26)25-7-11(6-10-4-5-10)12-8-23-17(16(21)22)24-9-12/h1-3,8-11,16H,4-7H2,(H,25,26)
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n/an/a 1.90n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173853
PNG
(US9102591, (-)2,3-dichloro-N-[3-cyclopropyl-2]benz...)
Show SMILES Clc1cccc(C(=O)NC2CC2)c1Cl
Show InChI InChI=1S/C10H9Cl2NO/c11-8-3-1-2-7(9(8)12)10(14)13-6-4-5-6/h1-3,6H,4-5H2,(H,13,14)
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n/an/a 1.90n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173828
PNG
(US9102591, (+)2-chloro-N-[2-(4-fluorophenyl)-2-[2-...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1ccccc1Cl)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H14ClF4N3O/c21-17-4-2-1-3-15(17)18(29)26-11-16(12-5-7-14(22)8-6-12)13-9-27-19(28-10-13)20(23,24)25/h1-10,16H,11H2,(H,26,29)
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n/an/a 2n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173730
PNG
(US9102591, 2-chloro-N-((4,4-difluoro-1-(6-(trifluo...)
Show SMILES FC(F)(F)c1ccc(cn1)C1(CNC(=O)c2ccccc2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C20H18ClF5N2O/c21-15-4-2-1-3-14(15)17(29)28-12-18(7-9-19(22,23)10-8-18)13-5-6-16(27-11-13)20(24,25)26/h1-6,11H,7-10,12H2,(H,28,29)
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n/an/a 2n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173715
PNG
(US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...)
Show SMILES Fc1cccc(Cl)c1C(=O)NCC(CC1CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C19H17ClF4N2O/c20-14-2-1-3-15(21)17(14)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
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n/an/a 2.10n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173706
PNG
(US9102591, (+)2-chloro-N-[3-[1-(trifluoromethyl)cy...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF6N2O/c21-15-4-2-1-3-14(15)17(30)29-11-13(9-18(7-8-18)20(25,26)27)12-5-6-16(28-10-12)19(22,23)24/h1-6,10,13H,7-9,11H2,(H,29,30)
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n/an/a 2.10n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173820
PNG
(US9102591, (+)2-chloro-N-[2-(4-fluorophenyl)-2-[6-...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1ccccc1Cl)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H15ClF4N2O/c22-18-4-2-1-3-16(18)20(29)28-12-17(13-5-8-15(23)9-6-13)14-7-10-19(27-11-14)21(24,25)26/h1-11,17H,12H2,(H,28,29)
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n/an/a 2.20n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173660
PNG
(US9102591, 2,5-dichloro-N-((4,4-difluoro-1-(6-fluo...)
Show SMILES Fc1ccc(cn1)C1(CNC(=O)c2cc(Cl)ccc2Cl)CCC(F)(F)CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-13-2-3-15(21)14(9-13)17(27)26-11-18(5-7-19(23,24)8-6-18)12-1-4-16(22)25-10-12/h1-4,9-10H,5-8,11H2,(H,26,27)
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n/an/a 2.30n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173676
PNG
(US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1ccccc1Cl)CC1CC1
Show InChI InChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)
PDB

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n/an/a 2.30n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173639
PNG
(US9102591, 2-Chloro-5-methyl-N-(1-methyl-4-phenyl-...)
Show SMILES CN1CCC(CNC(=O)c2cc(C)ccc2Cl)(CC1)c1ccccc1
Show InChI InChI=1S/C21H25ClN2O/c1-16-8-9-19(22)18(14-16)20(25)23-15-21(10-12-24(2)13-11-21)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)
PDB

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US Patent
n/an/a 2.40n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173785
PNG
(US9102591, (+)2-chloro-N-[3-[1-(trifluoromethyl)cy...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1ccccc1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H16ClF6N3O/c20-14-4-2-1-3-13(14)15(30)27-8-11(7-17(5-6-17)19(24,25)26)12-9-28-16(29-10-12)18(21,22)23/h1-4,9-11H,5-8H2,(H,27,30)
PDB

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n/an/a 2.40n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173671
PNG
(US9102591, N-((4,4-difluoro-1-(6-(trifluoromethyl)...)
Show SMILES Cc1ccccc1C(=O)NCC1(CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H21F5N2O/c1-14-4-2-3-5-16(14)18(29)28-13-19(8-10-20(22,23)11-9-19)15-6-7-17(27-12-15)21(24,25)26/h2-7,12H,8-11,13H2,1H3,(H,28,29)
PDB

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n/an/a 2.60n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173832
PNG
(US9102591, (+)2-chloro-6-fluoro-N-[2-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1c(F)cccc1Cl)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H13ClF5N3O/c21-15-2-1-3-16(23)17(15)18(30)27-10-14(11-4-6-13(22)7-5-11)12-8-28-19(29-9-12)20(24,25)26/h1-9,14H,10H2,(H,27,30)
PDB

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n/an/a 2.60n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173675
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[6-(...)
Show SMILES FC(F)(F)c1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C19H17Cl2F3N2O/c20-15-3-1-2-14(17(15)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
PDB

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n/an/a 2.60n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173724
PNG
(US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[6-(trif...)
Show SMILES Fc1cccc(C(=O)NCC(CC2CC2)c2ccc(nc2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C19H17ClF4N2O/c20-17-14(2-1-3-15(17)21)18(27)26-10-13(8-11-4-5-11)12-6-7-16(25-9-12)19(22,23)24/h1-3,6-7,9,11,13H,4-5,8,10H2,(H,26,27)
PDB

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n/an/a 2.90n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173820
PNG
(US9102591, (+)2-chloro-N-[2-(4-fluorophenyl)-2-[6-...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1ccccc1Cl)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H15ClF4N2O/c22-18-4-2-1-3-16(18)20(29)28-12-17(13-5-8-15(23)9-6-13)14-7-10-19(27-11-14)21(24,25)26/h1-11,17H,12H2,(H,28,29)
PDB

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n/an/a 3.10n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173744
PNG
(US9102591, (+)2-chloro-N-[3-cyclopropyl-2-[2-(trif...)
Show SMILES FC(F)(F)c1ncc(cn1)C(CNC(=O)c1ccccc1Cl)CC1CC1
Show InChI InChI=1S/C18H17ClF3N3O/c19-15-4-2-1-3-14(15)16(26)23-8-12(7-11-5-6-11)13-9-24-17(25-10-13)18(20,21)22/h1-4,9-12H,5-8H2,(H,23,26)
PDB

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n/an/a 3.20n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173735
PNG
(US9102591, 3-chloro-N-((4,4-difluoro-1-(6-(trifluo...)
Show SMILES Fc1c(Cl)cccc1C(=O)NCC1(CCC(F)(F)CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H17ClF6N2O/c21-14-3-1-2-13(16(14)22)17(30)29-11-18(6-8-19(23,24)9-7-18)12-4-5-15(28-10-12)20(25,26)27/h1-5,10H,6-9,11H2,(H,29,30)
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n/an/a 3.20n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%