Compile Data Set for Download or QSAR
Found 36 Enz. Inhib. hit(s) with all data for entry = 50021539
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50225551(CHEMBL392378 | N-adamantan-1-ylmethyl-2-chloro-5-(...)
Show SMILES Clc1ccc(NC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32ClN3O/c24-21-4-3-18(27-19-2-1-5-25-13-19)9-20(21)22(28)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25,27H,1-2,5-8,10-14H2,(H,26,28)
Affinity DataIC50: 32nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50225550(CHEMBL392558 | N-adamantan-1-ylmethyl-2-chloro-5-p...)
Show SMILES Clc1ccc(CC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-4-3-16(6-17-2-1-5-26-14-17)10-21(22)23(28)27-15-24-11-18-7-19(12-24)9-20(8-18)13-24/h3-4,10,17-20,26H,1-2,5-9,11-15H2,(H,27,28)
Affinity DataIC50: 32nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411436(CHEMBL235581)
Show SMILES Clc1ccc(CC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-2-1-17(7-16-3-5-26-6-4-16)11-21(22)23(28)27-15-24-12-18-8-19(13-24)10-20(9-18)14-24/h1-2,11,16,18-20,26H,3-10,12-15H2,(H,27,28)
Affinity DataIC50: 63nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411442(CHEMBL235579)
Show SMILES Clc1ccc(O[C@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H31ClN2O2/c24-21-4-3-18(28-19-2-1-5-25-13-19)9-20(21)22(27)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25H,1-2,5-8,10-14H2,(H,26,27)/t15?,16?,17?,19-,23?/m0/s1
Affinity DataIC50: 100nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411437(CHEMBL392559)
Show SMILES Clc1ccc(CN2C[C@@H]3C[C@H]2CN3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32ClN3O/c25-22-2-1-15(12-28-13-19-7-20(28)11-26-19)6-21(22)23(29)27-14-24-8-16-3-17(9-24)5-18(4-16)10-24/h1-2,6,16-20,26H,3-5,7-14H2,(H,27,29)/t16?,17?,18?,19-,20-,24?/m0/s1
Affinity DataIC50: 251nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411443(CHEMBL235357)
Show SMILES Clc1ccc(O[C@@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H31ClN2O2/c24-21-4-3-18(28-19-2-1-5-25-13-19)9-20(21)22(27)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25H,1-2,5-8,10-14H2,(H,26,27)/t15?,16?,17?,19-,23?/m1/s1
Affinity DataIC50: 316nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411435(CHEMBL236860)
Show SMILES Clc1cnc(OC2CCCNC2)nc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H29ClN4O2/c22-17-11-24-20(28-16-2-1-3-23-10-16)26-18(17)19(27)25-12-21-7-13-4-14(8-21)6-15(5-13)9-21/h11,13-16,23H,1-10,12H2,(H,25,27)
Affinity DataIC50: 316nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411444(CHEMBL393348)
Show SMILES Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C1CCNCC1
Show InChI InChI=1S/C23H31ClN2O/c24-21-2-1-19(18-3-5-25-6-4-18)10-20(21)22(27)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)
Affinity DataIC50: 316nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411429(CHEMBL235789)
Show SMILES Clc1ccc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32ClN3O/c24-21-2-1-16(14-27-5-3-25-4-6-27)10-20(21)22(28)26-15-23-11-17-7-18(12-23)9-19(8-17)13-23/h1-2,10,17-19,25H,3-9,11-15H2,(H,26,28)
Affinity DataIC50: 398nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411439(CHEMBL235580)
Show SMILES Clc1ccc(NC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32ClN3O/c24-21-2-1-19(27-18-3-5-25-6-4-18)10-20(21)22(28)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25,27H,3-9,11-14H2,(H,26,28)
Affinity DataIC50: 501nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411428(CHEMBL393384)
Show SMILES Clc1ccc(OC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H31ClN2O2/c24-21-2-1-19(28-18-3-5-25-6-4-18)10-20(21)22(27)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)
Affinity DataIC50: 631nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411441(CHEMBL393821)
Show SMILES Cc1nnc(OC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H32N4O2/c1-14-19(9-20(26-25-14)28-18-2-4-23-5-3-18)21(27)24-13-22-10-15-6-16(11-22)8-17(7-15)12-22/h9,15-18,23H,2-8,10-13H2,1H3,(H,24,27)
Affinity DataIC50: 794nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411430(CHEMBL235791)
Show SMILES Clc1cc(CN2CCCCC2)ccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-11-17(15-27-6-2-1-3-7-27)4-5-21(22)23(28)26-16-24-12-18-8-19(13-24)10-20(9-18)14-24/h4-5,11,18-20H,1-3,6-10,12-16H2,(H,26,28)
Affinity DataIC50: 794nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411431(CHEMBL393717)
Show SMILES Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)N1CCNCC1
Show InChI InChI=1S/C22H30ClN3O/c23-20-2-1-18(26-5-3-24-4-6-26)10-19(20)21(27)25-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17,24H,3-9,11-14H2,(H,25,27)
Affinity DataIC50: 1.26E+3nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50225552(CHEMBL235393 | N-adamantan-1-ylmethyl-2-methyl-5-(...)
Show SMILES Cc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)N1CC2CNCC(C1)O2
Show InChI InChI=1S/C26H35N3O3/c1-16-2-3-20(25(31)29-13-21-11-27-12-22(14-29)32-21)7-23(16)24(30)28-15-26-8-17-4-18(9-26)6-19(5-17)10-26/h2-3,7,17-19,21-22,27H,4-6,8-15H2,1H3,(H,28,30)
Affinity DataIC50: 7.00E+3nMAssay Description:Activity at vasopressin V1A receptorMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50225553(CHEMBL393754 | N-adamantan-1-ylmethyl-2-chloro-5-(...)
Show SMILES Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)N1CC2CNCC(C1)O2
Show InChI InChI=1S/C25H32ClN3O3/c26-22-2-1-18(24(31)29-12-19-10-27-11-20(13-29)32-19)6-21(22)23(30)28-14-25-7-15-3-16(8-25)5-17(4-15)9-25/h1-2,6,15-17,19-20,27H,3-5,7-14H2,(H,28,30)
Affinity DataIC50: 7.00E+3nMAssay Description:Activity at vasopressin V1A receptorMore data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411441(CHEMBL393821)
Show SMILES Cc1nnc(OC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H32N4O2/c1-14-19(9-20(26-25-14)28-18-2-4-23-5-3-18)21(27)24-13-22-10-15-6-16(11-22)8-17(7-15)12-22/h9,15-18,23H,2-8,10-13H2,1H3,(H,24,27)
Affinity DataKd:  1.58E+3nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411442(CHEMBL235579)
Show SMILES Clc1ccc(O[C@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H31ClN2O2/c24-21-4-3-18(28-19-2-1-5-25-13-19)9-20(21)22(27)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25H,1-2,5-8,10-14H2,(H,26,27)/t15?,16?,17?,19-,23?/m0/s1
Affinity DataKd:  10nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411443(CHEMBL235357)
Show SMILES Clc1ccc(O[C@@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H31ClN2O2/c24-21-4-3-18(28-19-2-1-5-25-13-19)9-20(21)22(27)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25H,1-2,5-8,10-14H2,(H,26,27)/t15?,16?,17?,19-,23?/m1/s1
Affinity DataKd:  6.31nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411440(CHEMBL235392)
Show SMILES Clc1ccc(CN2CC3CNCC(C2)O3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C25H34ClN3O2/c26-23-2-1-16(12-29-13-20-10-27-11-21(14-29)31-20)6-22(23)24(30)28-15-25-7-17-3-18(8-25)5-19(4-17)9-25/h1-2,6,17-21,27H,3-5,7-15H2,(H,28,30)
Affinity DataKd:  25.1nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411439(CHEMBL235580)
Show SMILES Clc1ccc(NC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32ClN3O/c24-21-2-1-19(27-18-3-5-25-6-4-18)10-20(21)22(28)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25,27H,3-9,11-14H2,(H,26,28)
Affinity DataKd:  25.1nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411438(CHEMBL427851)
Show SMILES Cc1oc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H33N3O2/c1-15-20(9-19(27-15)13-25-4-2-23-3-5-25)21(26)24-14-22-10-16-6-17(11-22)8-18(7-16)12-22/h9,16-18,23H,2-8,10-14H2,1H3,(H,24,26)
Affinity DataKd: >1.00E+4nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411437(CHEMBL392559)
Show SMILES Clc1ccc(CN2C[C@@H]3C[C@H]2CN3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32ClN3O/c25-22-2-1-15(12-28-13-19-7-20(28)11-26-19)6-21(22)23(29)27-14-24-8-16-3-17(9-24)5-18(4-16)10-24/h1-2,6,16-20,26H,3-5,7-14H2,(H,27,29)/t16?,17?,18?,19-,20-,24?/m0/s1
Affinity DataKd:  5.01nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411436(CHEMBL235581)
Show SMILES Clc1ccc(CC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-2-1-17(7-16-3-5-26-6-4-16)11-21(22)23(28)27-15-24-12-18-8-19(13-24)10-20(9-18)14-24/h1-2,11,16,18-20,26H,3-10,12-15H2,(H,27,28)
Affinity DataKd:  15.8nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411435(CHEMBL236860)
Show SMILES Clc1cnc(OC2CCCNC2)nc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H29ClN4O2/c22-17-11-24-20(28-16-2-1-3-23-10-16)26-18(17)19(27)25-12-21-7-13-4-14(8-21)6-15(5-13)9-21/h11,13-16,23H,1-10,12H2,(H,25,27)
Affinity DataKd:  251nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50225551(CHEMBL392378 | N-adamantan-1-ylmethyl-2-chloro-5-(...)
Show SMILES Clc1ccc(NC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32ClN3O/c24-21-4-3-18(27-19-2-1-5-25-13-19)9-20(21)22(28)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25,27H,1-2,5-8,10-14H2,(H,26,28)
Affinity DataKd:  5.01nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411434(CHEMBL235790)
Show SMILES Clc1c(CN2CCCCC2)cccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-20(15-27-7-2-1-3-8-27)5-4-6-21(22)23(28)26-16-24-12-17-9-18(13-24)11-19(10-17)14-24/h4-6,17-19H,1-3,7-16H2,(H,26,28)
Affinity DataKd:  200nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411433(CHEMBL236006)
Show SMILES Clc1cccc(OC2CCNCC2)c1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H31ClN2O2/c24-19-2-1-3-20(28-18-4-6-25-7-5-18)21(19)22(27)26-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-3,15-18,25H,4-14H2,(H,26,27)
Affinity DataKd: >1.00E+4nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411432(CHEMBL236859)
Show SMILES Cc1sc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H33N3OS/c1-15-20(9-19(27-15)13-25-4-2-23-3-5-25)21(26)24-14-22-10-16-6-17(11-22)8-18(7-16)12-22/h9,16-18,23H,2-8,10-14H2,1H3,(H,24,26)
Affinity DataKd:  316nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411431(CHEMBL393717)
Show SMILES Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)N1CCNCC1
Show InChI InChI=1S/C22H30ClN3O/c23-20-2-1-18(26-5-3-24-4-6-26)10-19(20)21(27)25-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17,24H,3-9,11-14H2,(H,25,27)
Affinity DataKd:  31.6nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411430(CHEMBL235791)
Show SMILES Clc1cc(CN2CCCCC2)ccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-11-17(15-27-6-2-1-3-7-27)4-5-21(22)23(28)26-16-24-12-18-8-19(13-24)10-20(9-18)14-24/h4-5,11,18-20H,1-3,6-10,12-16H2,(H,26,28)
Affinity DataKd:  126nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50225550(CHEMBL392558 | N-adamantan-1-ylmethyl-2-chloro-5-p...)
Show SMILES Clc1ccc(CC2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33ClN2O/c25-22-4-3-16(6-17-2-1-5-26-14-17)10-21(22)23(28)27-15-24-11-18-7-19(12-24)9-20(8-18)13-24/h3-4,10,17-20,26H,1-2,5-9,11-15H2,(H,27,28)
Affinity DataKd:  6.31nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50225552(CHEMBL235393 | N-adamantan-1-ylmethyl-2-methyl-5-(...)
Show SMILES Cc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)N1CC2CNCC(C1)O2
Show InChI InChI=1S/C26H35N3O3/c1-16-2-3-20(25(31)29-13-21-11-27-12-22(14-29)32-21)7-23(16)24(30)28-15-26-8-17-4-18(9-26)6-19(5-17)10-26/h2-3,7,17-19,21-22,27H,4-6,8-15H2,1H3,(H,28,30)
Affinity DataKd:  15.8nMAssay Description:Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411444(CHEMBL393348)
Show SMILES Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)C1CCNCC1
Show InChI InChI=1S/C23H31ClN2O/c24-21-2-1-19(18-3-5-25-6-4-18)10-20(21)22(27)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)
Affinity DataKd:  15.8nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411428(CHEMBL393384)
Show SMILES Clc1ccc(OC2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H31ClN2O2/c24-21-2-1-19(28-18-3-5-25-6-4-18)10-20(21)22(27)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)
Affinity DataKd:  15.8nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair
TargetP2X purinoceptor 7(Homo sapiens (Human))
AstraZeneca R&D Charnwood

Curated by ChEMBL
LigandPNGBDBM50411429(CHEMBL235789)
Show SMILES Clc1ccc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H32ClN3O/c24-21-2-1-16(14-27-5-3-25-4-6-27)10-20(21)22(28)26-15-23-11-17-7-18(12-23)9-19(8-17)13-23/h1-2,10,17-19,25H,3-9,11-15H2,(H,26,28)
Affinity DataKd:  10nMAssay Description:Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...More data for this Ligand-Target Pair