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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50015495   
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


(Rattus norvegicus (Rat))
BDBM50237707
PNG
(A-804598 | CHEMBL1628690)
Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
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3.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM198970
PNG
(BDBM199009 | BDBM199010 | US9221832, 34)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
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5.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50410956
PNG
(CHEMBL437703)
Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
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7.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50237707
PNG
(A-804598 | CHEMBL1628690)
Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
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8.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50587051
PNG
(CHEMBL5086274)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50267791
PNG
(AZD-9056 | AZD9056)
Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24|
Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50410956
PNG
(CHEMBL437703)
Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50410956
PNG
(CHEMBL437703)
Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
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48n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50318021
PNG
(2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)meth...)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1
Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26)
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53n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50587051
PNG
(CHEMBL5086274)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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55n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50234965
PNG
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10|
Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50237707
PNG
(A-804598 | CHEMBL1628690)
Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
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60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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68n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50585248
PNG
(CHEMBL2338352)
Show SMILES O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1
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98n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM198970
PNG
(BDBM199009 | BDBM199010 | US9221832, 34)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50234965
PNG
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10|
Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
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130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50267791
PNG
(AZD-9056 | AZD9056)
Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24|
Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
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130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50587051
PNG
(CHEMBL5086274)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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180n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50410955
PNG
(A-438079 | CHEMBL377219)
Show SMILES Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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510n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50587053
PNG
(E133)
Show SMILES CCOc1ccc(Nc2ccc(cc2)C(=C2\C=C/C(/C=C2C)=[N+](/CC)Cc2cccc(c2)S([O-])(=O)=O)\c2ccc(cc2C)N(CC)Cc2cccc(c2)S(O)(=O)=O)cc1 |c:17,20|
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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50318021
PNG
(2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)meth...)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1
Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26)
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4.80E+3n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50585248
PNG
(CHEMBL2338352)
Show SMILES O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1
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n/an/a 0.650n/an/an/an/an/an/a


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Assay Description
Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50352039
PNG
(CHEMBL1823817)
Show SMILES COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r|
Show InChI InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1
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n/an/a 0.760n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50587051
PNG
(CHEMBL5086274)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50267791
PNG
(AZD-9056 | AZD9056)
Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24|
Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
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Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50234965
PNG
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10|
Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
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n/an/a 4n/an/an/an/an/an/a


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Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50267791
PNG
(AZD-9056 | AZD9056)
Show SMILES OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:28:19:26:22.23.24,THB:24:23:20:26.25.27,24:25:22.23.28:20,28:23:26:19.20.27,18:19:26:22.23.24|
Show InChI InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
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n/an/a 4.40n/an/an/an/an/an/a


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Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50585248
PNG
(CHEMBL2338352)
Show SMILES O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1
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n/an/a 4.70n/an/an/an/an/an/a


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Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM198970
PNG
(BDBM199009 | BDBM199010 | US9221832, 34)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
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Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50237707
PNG
(A-804598 | CHEMBL1628690)
Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
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Assay Description
Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50587051
PNG
(CHEMBL5086274)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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n/an/a 12n/an/an/an/an/an/a


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Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50416603
PNG
(CHEMBL1222883)
Show SMILES CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50318021
PNG
(2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)meth...)
Show SMILES OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1
Show InChI InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26)
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n/an/a 21n/an/an/an/an/an/a


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Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50587051
PNG
(CHEMBL5086274)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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n/an/a 22n/an/an/an/an/an/a


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Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50237707
PNG
(A-804598 | CHEMBL1628690)
Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
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n/an/a 32n/an/an/an/an/an/a


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Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50237707
PNG
(A-804598 | CHEMBL1628690)
Show SMILES C[C@H](N\C(Nc1cccc2ncccc12)=N\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50585248
PNG
(CHEMBL2338352)
Show SMILES O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1
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n/an/a 35n/an/an/an/an/an/a


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Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50410956
PNG
(CHEMBL437703)
Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
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n/an/a 57n/an/an/an/an/an/a


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Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50587051
PNG
(CHEMBL5086274)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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n/an/a 66n/an/an/an/an/an/a


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Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced current at -60 mV by whole cell QPatch ele...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50410956
PNG
(CHEMBL437703)
Show SMILES FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl
Show InChI InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
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n/an/a 71n/an/an/an/an/an/a


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Assay Description
Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50587052
PNG
(CHEMBL5087215)
Show SMILES OCCn1cc(C(=O)NCC2CCCCCC2)c2ccccc12
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Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50234965
PNG
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10|
Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
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Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50587050
PNG
(CHEMBL5075634)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50587050
PNG
(CHEMBL5075634)
Show SMILES FC(F)(F)c1nc(sc1C(=O)NC[C@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
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n/an/a 95n/an/an/an/an/an/a


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Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50587053
PNG
(E133)
Show SMILES CCOc1ccc(Nc2ccc(cc2)C(=C2\C=C/C(/C=C2C)=[N+](/CC)Cc2cccc(c2)S([O-])(=O)=O)\c2ccc(cc2C)N(CC)Cc2cccc(c2)S(O)(=O)=O)cc1 |c:17,20|
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n/an/a 200n/an/an/an/an/an/a


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Assay Description
Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50587052
PNG
(CHEMBL5087215)
Show SMILES OCCn1cc(C(=O)NCC2CCCCCC2)c2ccccc12
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KEGG

UniProtKB/SwissProt

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n/an/a 240n/an/an/an/an/an/a


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Assay Description
Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50234965
PNG
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC |w:11.10|
Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
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n/an/a 250n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM198970
PNG
(BDBM199009 | BDBM199010 | US9221832, 34)
Show SMILES FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
Show InChI InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02249
BindingDB Entry DOI: 10.7270/Q2862MC9
More data for this
Ligand-Target Pair
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