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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'cara' and Initial = 'cl'   
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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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15.1n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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15.3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins


J Med Chem 55: 7719-35 (2012)


Article DOI: 10.1021/jm3007504
BindingDB Entry DOI: 10.7270/Q2H41SK5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50080550
PNG
((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3
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1.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat membrane


J Med Chem 55: 7719-35 (2012)


Article DOI: 10.1021/jm3007504
BindingDB Entry DOI: 10.7270/Q2H41SK5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50080550
PNG
((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3
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1.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from A1 adenosine receptor in rat membranes


Bioorg Med Chem 20: 996-1007 (2012)


Article DOI: 10.1016/j.bmc.2011.11.044
BindingDB Entry DOI: 10.7270/Q2028S19
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50080550
PNG
((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3
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1.10E+4n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranes


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216395
PNG
(CHEMBL231032 | N-(2-(4-(2-fluorophenyl)piperazin-1...)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H21FN4O3S/c22-18-5-1-2-6-19(18)25-10-12-26(13-11-25)21(27)15-24-30(28,29)20-7-3-4-16-14-23-9-8-17(16)20/h1-9,14,24H,10-13,15H2
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n/an/a 12n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216402
PNG
(CHEMBL230925 | N-(2-(4-(4-nitrophenyl)piperazin-1-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H21N5O5S/c27-21(15-23-32(30,31)20-3-1-2-16-14-22-9-8-19(16)20)25-12-10-24(11-13-25)17-4-6-18(7-5-17)26(28)29/h1-9,14,23H,10-13,15H2
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n/an/a 21n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216390
PNG
(CHEMBL231645 | N-(2-(4-benzylpiperazin-1-yl)-2-oxo...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N4O3S/c27-22(26-13-11-25(12-14-26)17-18-5-2-1-3-6-18)16-24-30(28,29)21-8-4-7-19-15-23-10-9-20(19)21/h1-10,15,24H,11-14,16-17H2
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n/an/a 35n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216409
PNG
(CHEMBL231658 | N-(2-oxo-2-(4-phenethylpiperazin-1-...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H26N4O3S/c28-23(27-15-13-26(14-16-27)12-10-19-5-2-1-3-6-19)18-25-31(29,30)22-8-4-7-20-17-24-11-9-21(20)22/h1-9,11,17,25H,10,12-16,18H2
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n/an/a 40n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216397
PNG
(CHEMBL395958 | isoquinolinesulfon-5-yl-{2-[4-(4-ac...)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H24N4O4S/c1-17(28)18-5-7-20(8-6-18)26-11-13-27(14-12-26)23(29)16-25-32(30,31)22-4-2-3-19-15-24-10-9-21(19)22/h2-10,15,25H,11-14,16H2,1H3
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216388
PNG
(CHEMBL230612 | N-(2-(4-(4-fluorophenyl)piperazin-1...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H21FN4O3S/c22-17-4-6-18(7-5-17)25-10-12-26(13-11-25)21(27)15-24-30(28,29)20-3-1-2-16-14-23-9-8-19(16)20/h1-9,14,24H,10-13,15H2
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n/an/a 60n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216384
PNG
(CHEMBL231244 | isoquinolinesulfon-5-yl-[2-(4-napht...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N4O3S/c30-25(18-27-33(31,32)24-10-4-7-20-17-26-12-11-22(20)24)29-15-13-28(14-16-29)23-9-3-6-19-5-1-2-8-21(19)23/h1-12,17,27H,13-16,18H2
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n/an/a 90n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216372
PNG
(CHEMBL395076 | isoquinolinesulfon-5-yl-[2-(4-benzy...)
Show SMILES CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H26N4O3S/c1-25(31(29,30)22-9-5-8-20-16-24-11-10-21(20)22)18-23(28)27-14-12-26(13-15-27)17-19-6-3-2-4-7-19/h2-11,16H,12-15,17-18H2,1H3
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216373
PNG
(CHEMBL231441 | isoquinolinesulfon-5-yl-[2-oxo-2-(4...)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H24N4O3S/c1-17-5-7-19(8-6-17)25-11-13-26(14-12-25)22(27)16-24-30(28,29)21-4-2-3-18-15-23-10-9-20(18)21/h2-10,15,24H,11-14,16H2,1H3
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216377
PNG
(CHEMBL395737 | isoquinolinesulfon-5-yl-[3-oxo-3-(4...)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4O3S/c27-22(26-15-13-25(14-16-26)19-6-2-1-3-7-19)10-12-24-30(28,29)21-8-4-5-18-17-23-11-9-20(18)21/h1-9,11,17,24H,10,12-16H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216400
PNG
(CHEMBL230076 | isoquinolinesulfon-5-yl-[2-(4-benzy...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H26N4O3S/c28-23(27-13-5-12-26(14-15-27)18-19-6-2-1-3-7-19)17-25-31(29,30)22-9-4-8-20-16-24-11-10-21(20)22/h1-4,6-11,16,25H,5,12-15,17-18H2
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n/an/a 900n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216412
PNG
(CHEMBL231440 | isoquinolinesulfon-5-yl-{2-[4-(4-io...)
Show SMILES Ic1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H21IN4O3S/c22-17-4-6-18(7-5-17)25-10-12-26(13-11-25)21(27)15-24-30(28,29)20-3-1-2-16-14-23-9-8-19(16)20/h1-9,14,24H,10-13,15H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216405
PNG
(CHEMBL231439 | isoquinolinesulfon-5-yl-{2-[4-(4-br...)
Show SMILES Brc1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H21BrN4O3S/c22-17-4-6-18(7-5-17)25-10-12-26(13-11-25)21(27)15-24-30(28,29)20-3-1-2-16-14-23-9-8-19(16)20/h1-9,14,24H,10-13,15H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216410
PNG
(CHEMBL390888 | isoquinolinesulfon-5-yl-{2-[4-(4-ch...)
Show SMILES Clc1ccc(CN2CCN(CC2)C(=O)CNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H23ClN4O3S/c23-19-6-4-17(5-7-19)16-26-10-12-27(13-11-26)22(28)15-25-31(29,30)21-3-1-2-18-14-24-9-8-20(18)21/h1-9,14,25H,10-13,15-16H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216376
PNG
(CHEMBL231029 | isoquinolinesulfon-5-yl-{3-[4-(4-ni...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H23N5O5S/c28-22(26-14-12-25(13-15-26)18-4-6-19(7-5-18)27(29)30)9-11-24-33(31,32)21-3-1-2-17-16-23-10-8-20(17)21/h1-8,10,16,24H,9,11-15H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216379
PNG
(CHEMBL231343 | isoquinolinesulfon-5-yl-{2-[4-(4-ch...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H21ClN4O3S/c22-17-4-6-18(7-5-17)25-10-12-26(13-11-25)21(27)15-24-30(28,29)20-3-1-2-16-14-23-9-8-19(16)20/h1-9,14,24H,10-13,15H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216396
PNG
(CHEMBL231543 | naphthalenesulfon-1-yl-[2-(4-phenyl...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c26-22(25-15-13-24(14-16-25)19-9-2-1-3-10-19)17-23-29(27,28)21-12-6-8-18-7-4-5-11-20(18)21/h1-12,23H,13-17H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216383
PNG
(CHEMBL231341 | naphthalenesulfon-1-yl-{2-[4-(2-flu...)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H22FN3O3S/c23-19-9-3-4-10-20(19)25-12-14-26(15-13-25)22(27)16-24-30(28,29)21-11-5-7-17-6-1-2-8-18(17)21/h1-11,24H,12-16H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216394
PNG
(CHEMBL389547 | isoquinolinesulfon-5-yl-{2-[4-(2,4-...)
Show SMILES Fc1ccc(N2CCN(CC2)C(=O)CNS(=O)(=O)c2cccc3cnccc23)c(F)c1
Show InChI InChI=1S/C21H20F2N4O3S/c22-16-4-5-19(18(23)12-16)26-8-10-27(11-9-26)21(28)14-25-31(29,30)20-3-1-2-15-13-24-7-6-17(15)20/h1-7,12-13,25H,8-11,14H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216374
PNG
(CHEMBL231033 | isoquinolinesulfon-5-yl-{2-[4-(2-fl...)
Show SMILES CN(CC(=O)N1CCN(CC1)c1ccccc1F)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H23FN4O3S/c1-25(31(29,30)21-8-4-5-17-15-24-10-9-18(17)21)16-22(28)27-13-11-26(12-14-27)20-7-3-2-6-19(20)23/h2-10,15H,11-14,16H2,1H3
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216401
PNG
(CHEMBL389354 | N-(2-(4-(3-fluorophenyl)piperazin-1...)
Show SMILES Fc1cccc(c1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H21FN4O3S/c22-17-4-2-5-18(13-17)25-9-11-26(12-10-25)21(27)15-24-30(28,29)20-6-1-3-16-14-23-8-7-19(16)20/h1-8,13-14,24H,9-12,15H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216392
PNG
(CHEMBL230928 | isoquinolinesulfon-5-yl-{2-[4-(4-fl...)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)CNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H23FN4O3S/c23-19-6-4-17(5-7-19)16-26-10-12-27(13-11-26)22(28)15-25-31(29,30)21-3-1-2-18-14-24-9-8-20(18)21/h1-9,14,25H,10-13,15-16H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216386
PNG
(CHEMBL395710 | isoquinolinesulfon-5-yl-{2-[4-(4-me...)
Show SMILES Cc1ccc(CN2CCN(CC2)C(=O)CNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C23H26N4O3S/c1-18-5-7-19(8-6-18)17-26-11-13-27(14-12-26)23(28)16-25-31(29,30)22-4-2-3-20-15-24-10-9-21(20)22/h2-10,15,25H,11-14,16-17H2,1H3
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216403
PNG
(CHEMBL230295 | N-(2-oxo-2-(4-phenylpiperazin-1-yl)...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4O3S/c26-21(25-13-11-24(12-14-25)18-6-2-1-3-7-18)16-23-29(27,28)20-8-4-5-17-15-22-10-9-19(17)20/h1-10,15,23H,11-14,16H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216375
PNG
(CHEMBL397423 | isoquinolinesulfon-5-yl-{2-[4-(4-am...)
Show SMILES Nc1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H23N5O3S/c22-17-4-6-18(7-5-17)25-10-12-26(13-11-25)21(27)15-24-30(28,29)20-3-1-2-16-14-23-9-8-19(16)20/h1-9,14,24H,10-13,15,22H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216404
PNG
(CHEMBL231138 | isoquinolinesulfon-5-yl-{2-[4-(2,5-...)
Show SMILES Fc1ccc(F)c(c1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H20F2N4O3S/c22-16-4-5-18(23)19(12-16)26-8-10-27(11-9-26)21(28)14-25-31(29,30)20-3-1-2-15-13-24-7-6-17(15)20/h1-7,12-13,25H,8-11,14H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216408
PNG
(CHEMBL231137 | isoquinolinesulfon-5-yl-{2-[4-(2,3-...)
Show SMILES Fc1cccc(N2CCN(CC2)C(=O)CNS(=O)(=O)c2cccc3cnccc23)c1F
Show InChI InChI=1S/C21H20F2N4O3S/c22-17-4-2-5-18(21(17)23)26-9-11-27(12-10-26)20(28)14-25-31(29,30)19-6-1-3-15-13-24-8-7-16(15)19/h1-8,13,25H,9-12,14H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216411
PNG
(CHEMBL231644 | naphthalenesulfon-1-yl-[2-(4-naphth...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H25N3O3S/c30-26(19-27-33(31,32)25-14-6-10-21-8-2-4-12-23(21)25)29-17-15-28(16-18-29)24-13-5-9-20-7-1-3-11-22(20)24/h1-14,27H,15-19H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216391
PNG
(CHEMBL231136 | isoquinolinesulfon-5-yl-{2-[4-(3,4-...)
Show SMILES Fc1ccc(cc1F)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H20F2N4O3S/c22-18-5-4-16(12-19(18)23)26-8-10-27(11-9-26)21(28)14-25-31(29,30)20-3-1-2-15-13-24-7-6-17(15)20/h1-7,12-13,25H,8-11,14H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216407
PNG
(CHEMBL395075 | isoquinolinesulfon-5-yl-[2-oxo-2-(4...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C19H20N6O3S/c26-18(24-9-11-25(12-10-24)19-21-6-2-7-22-19)14-23-29(27,28)17-4-1-3-15-13-20-8-5-16(15)17/h1-8,13,23H,9-12,14H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216389
PNG
(CHEMBL231643 | N-(2-(4-(4-cyanophenyl)piperazin-1-...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H21N5O3S/c23-14-17-4-6-19(7-5-17)26-10-12-27(13-11-26)22(28)16-25-31(29,30)21-3-1-2-18-15-24-9-8-20(18)21/h1-9,15,25H,10-13,16H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216378
PNG
(CHEMBL231540 | isoquinolinesulfon-5-yl-[2-oxo-2-(4...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H24N4O3S/c1-17-5-2-3-7-20(17)25-11-13-26(14-12-25)22(27)16-24-30(28,29)21-8-4-6-18-15-23-10-9-19(18)21/h2-10,15,24H,11-14,16H2,1H3
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216398
PNG
(CHEMBL425820 | naphthalenesulfon-1-yl-[2-(4-benzyl...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O3S/c27-23(26-15-13-25(14-16-26)18-19-7-2-1-3-8-19)17-24-30(28,29)22-12-6-10-20-9-4-5-11-21(20)22/h1-12,24H,13-18H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216406
PNG
(CHEMBL390054 | N-(2-(4-(4-fluorophenyl)piperazin-1...)
Show SMILES CN(CC(=O)N1CCN(CC1)c1ccc(F)cc1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H23FN4O3S/c1-25(31(29,30)21-4-2-3-17-15-24-10-9-20(17)21)16-22(28)27-13-11-26(12-14-27)19-7-5-18(23)6-8-19/h2-10,15H,11-14,16H2,1H3
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216382
PNG
(CHEMBL390887 | N-(2-(4-(2-fluorophenyl)piperazin-1...)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C21H21FN4O3S/c22-17-7-1-2-8-18(17)25-11-13-26(14-12-25)20(27)15-24-30(28,29)19-9-3-5-16-6-4-10-23-21(16)19/h1-10,24H,11-15H2
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Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216413
PNG
(CHEMBL397196 | isoquinolinesulfon-5-yl-{2-[4-(4-me...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H24N4O4S/c1-30-19-7-5-18(6-8-19)25-11-13-26(14-12-25)22(27)16-24-31(28,29)21-4-2-3-17-15-23-10-9-20(17)21/h2-10,15,24H,11-14,16H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216393
PNG
(CHEMBL231242 | N-(2-(4-(2-fluorophenyl)piperazin-1...)
Show SMILES Fc1ccccc1N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2ncccc12
Show InChI InChI=1S/C21H21FN4O3S/c22-17-6-1-2-8-19(17)25-11-13-26(14-12-25)21(27)15-24-30(28,29)20-9-3-7-18-16(20)5-4-10-23-18/h1-10,24H,11-15H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216385
PNG
(CHEMBL230926 | naphthalenesulfon-1-yl-{2-[4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24FN3O3S/c24-19-8-10-20(11-9-19)26-14-16-27(17-15-26)23(28)12-13-25-31(29,30)22-7-3-5-18-4-1-2-6-21(18)22/h1-11,25H,12-17H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216387
PNG
(CHEMBL397195 | isoquinolinesulfon-5-yl-{2-[4-(4-tr...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H21F3N4O3S/c23-22(24,25)17-4-6-18(7-5-17)28-10-12-29(13-11-28)21(30)15-27-33(31,32)20-3-1-2-16-14-26-9-8-19(16)20/h1-9,14,27H,10-13,15H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216381
PNG
(CHEMBL230827 | isoquinolinesulfon-5-yl-{3-[4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H23FN4O3S/c23-18-4-6-19(7-5-18)26-12-14-27(15-13-26)22(28)9-11-25-31(29,30)21-3-1-2-17-16-24-10-8-20(17)21/h1-8,10,16,25H,9,11-15H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216399
PNG
(CHEMBL396009 | isoquinolinesulfon-5-yl-{2-oxo-2-[4...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H28N4O3S/c29-24(19-26-32(30,31)23-10-4-9-21-18-25-12-11-22(21)23)28-16-14-27(15-17-28)13-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-12,18,26H,5,8,13-17,19H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50216380
PNG
(CHEMBL387801 | naphthalenesulfon-1-yl-[2-oxo-2-(4-...)
Show SMILES O=C(CNS(=O)(=O)c1cccc2ccccc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H27N3O3S/c28-24(27-17-15-26(16-18-27)14-13-20-7-2-1-3-8-20)19-25-31(29,30)23-12-6-10-21-9-4-5-11-22(21)23/h1-12,25H,13-19H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx


J Med Chem 50: 3706-15 (2007)


Article DOI: 10.1021/jm070443e
BindingDB Entry DOI: 10.7270/Q2PN95CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253852
PNG
((2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophe...)
Show SMILES CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19)15(13)16(22)12-2-4-14(18)5-3-12/h2-5,11H,6-10,19H2,1H3
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n/an/an/a 1.70n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50080550
PNG
((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...)
Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C
Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3
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n/an/an/a 1.80n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253307
PNG
((2-amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl...)
Show SMILES Nc1scc(CN2CCN(CC2)c2ccccn2)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4OS/c22-17-6-4-15(5-7-17)20(27)19-16(14-28-21(19)23)13-25-9-11-26(12-10-25)18-3-1-2-8-24-18/h1-8,14H,9-13,23H2
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n/an/an/a 1.70n/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 5875-9 (2008)


Article DOI: 10.1021/jm800586p
BindingDB Entry DOI: 10.7270/Q2PG1RJ9
More data for this
Ligand-Target Pair
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