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Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'lim' and Initial = 'sc'   
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))		BDBM50075452
PNG
(CHEMBL3415315)
Show SMILES O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:45:36:43:39.40.41,THB:41:40:37:43.42.44,41:42:39.40.45:37,45:40:43:36.37.44,1:36:43:39.40.41|
Show InChI InChI=1S/C35H38N4O6S/c40-32-30(17-22-4-6-28(7-5-22)45-46(43,44)31-3-1-2-26-21-36-11-8-29(26)31)39(34(42)37-32)27-9-12-38(13-10-27)33(41)35-18-23-14-24(19-35)16-25(15-23)20-35/h1-8,11,21,23-25,27,30H,9-10,12-20H2,(H,37,40,42)
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n/an/a 14n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075454
PNG
(CHEMBL3415330)
Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O |TLB:12:3:10:6.7.8,THB:8:7:4:10.9.11,8:9:6.7.12:4,12:7:10:3.4.11,2:3:10:6.7.8|
Show InChI InChI=1S/C36H40N4O6S/c41-33(21-36-18-24-14-25(19-36)16-26(15-24)20-36)39-12-9-28(10-13-39)40-31(34(42)38-35(40)43)17-23-4-6-29(7-5-23)46-47(44,45)32-3-1-2-27-22-37-11-8-30(27)32/h1-8,11,22,24-26,28,31H,9-10,12-21H2,(H,38,42,43)
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n/an/a 15n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075452
PNG
(CHEMBL3415315)
Show SMILES O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 |TLB:45:36:43:39.40.41,THB:41:40:37:43.42.44,41:42:39.40.45:37,45:40:43:36.37.44,1:36:43:39.40.41|
Show InChI InChI=1S/C35H38N4O6S/c40-32-30(17-22-4-6-28(7-5-22)45-46(43,44)31-3-1-2-26-21-36-11-8-29(26)31)39(34(42)37-32)27-9-12-38(13-10-27)33(41)35-18-23-14-24(19-35)16-25(15-23)20-35/h1-8,11,21,23-25,27,30H,9-10,12-20H2,(H,37,40,42)
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n/an/a 23n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075455
PNG
(CHEMBL3415331)
Show SMILES BrC12CC3CC(C1)CC(C3)(C2)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O |TLB:4:5:2.3.9:10,9:8:6:2.3.4,THB:9:3:6:8.10.7|
Show InChI InChI=1S/C35H37BrN4O6S/c36-35-18-23-14-24(19-35)17-34(16-23,21-35)32(42)39-12-9-26(10-13-39)40-29(31(41)38-33(40)43)15-22-4-6-27(7-5-22)46-47(44,45)30-3-1-2-25-20-37-11-8-28(25)30/h1-8,11,20,23-24,26,29H,9-10,12-19,21H2,(H,38,41,43)
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n/an/a 27n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075458
PNG
(CHEMBL3415334)
Show SMILES O=C(CC1CC2CCC1C2)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C33H36N4O6S/c38-31(19-25-17-22-4-7-23(25)16-22)36-14-11-26(12-15-36)37-29(32(39)35-33(37)40)18-21-5-8-27(9-6-21)43-44(41,42)30-3-1-2-24-20-34-13-10-28(24)30/h1-3,5-6,8-10,13,20,22-23,25-26,29H,4,7,11-12,14-19H2,(H,35,39,40)
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n/an/a 29n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075455
PNG
(CHEMBL3415331)
Show SMILES BrC12CC3CC(C1)CC(C3)(C2)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O |TLB:4:5:2.3.9:10,9:8:6:2.3.4,THB:9:3:6:8.10.7|
Show InChI InChI=1S/C35H37BrN4O6S/c36-35-18-23-14-24(19-35)17-34(16-23,21-35)32(42)39-12-9-26(10-13-39)40-29(31(41)38-33(40)43)15-22-4-6-27(7-5-22)46-47(44,45)30-3-1-2-25-20-37-11-8-28(25)30/h1-8,11,20,23-24,26,29H,9-10,12-19,21H2,(H,38,41,43)
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Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230061
PNG
((S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycar...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C34H32N4O9S/c39-32(27-9-5-2-6-10-27)36-19-21-37(22-20-36)33(40)31(35-34(41)46-24-26-7-3-1-4-8-26)23-25-11-15-29(16-12-25)47-48(44,45)30-17-13-28(14-18-30)38(42)43/h1-18,31H,19-24H2,(H,35,41)/t31-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230072
PNG
((S)-tert-butyl 4-(3-(4-(isoquinolin-5-ylsulfonylox...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C36H37N5O8S2/c1-36(2,3)48-35(43)41-20-18-40(19-21-41)34(42)31(39-50(44,45)32-8-4-6-26-23-37-16-14-29(26)32)22-25-10-12-28(13-11-25)49-51(46,47)33-9-5-7-27-24-38-17-15-30(27)33/h4-17,23-24,31,39H,18-22H2,1-3H3/t31-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075457
PNG
(CHEMBL3415333)
Show SMILES O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)C12CC3CC1CC(C2)C3 |TLB:39:38:40.41:43,THB:39:40:43:37.38.44,41:42:37:39.40|
Show InChI InChI=1S/C34H36N4O6S/c39-31-29(17-21-4-6-27(7-5-21)44-45(42,43)30-3-1-2-24-20-35-11-8-28(24)30)38(33(41)36-31)26-9-12-37(13-10-26)32(40)34-18-22-14-23(19-34)16-25(34)15-22/h1-8,11,20,22-23,25-26,29H,9-10,12-19H2,(H,36,39,41)
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n/an/a 49n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075467
PNG
(CHEMBL3415342)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)
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n/an/a 50n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075467
PNG
(CHEMBL3415342)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)
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Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075457
PNG
(CHEMBL3415333)
Show SMILES O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)C12CC3CC1CC(C2)C3 |TLB:39:38:40.41:43,THB:39:40:43:37.38.44,41:42:37:39.40|
Show InChI InChI=1S/C34H36N4O6S/c39-31-29(17-21-4-6-27(7-5-21)44-45(42,43)30-3-1-2-24-20-35-11-8-28(24)30)38(33(41)36-31)26-9-12-37(13-10-26)32(40)34-18-22-14-23(19-34)16-25(34)15-22/h1-8,11,20,22-23,25-26,29H,9-10,12-19H2,(H,36,39,41)
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n/an/a 69n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075467
PNG
(CHEMBL3415342)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)
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n/an/a 70n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075467
PNG
(CHEMBL3415342)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)
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n/an/a 70n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075466
PNG
(CHEMBL3415341)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H26Cl2N4O6S/c32-25-9-6-20(17-26(25)33)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-21-18-34-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)
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n/an/a 72n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075466
PNG
(CHEMBL3415341)
Show SMILES Clc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H26Cl2N4O6S/c32-25-9-6-20(17-26(25)33)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-21-18-34-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)
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n/an/a 73n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075451
PNG
(CHEMBL3415314)
Show SMILES O=C(C1CCCCC1)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H34N4O6S/c36-29-27(35(31(38)33-29)24-14-17-34(18-15-24)30(37)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)41-42(39,40)28-8-4-7-23-20-32-16-13-26(23)28/h4,7-13,16,20,22,24,27H,1-3,5-6,14-15,17-19H2,(H,33,36,38)
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n/an/a 80n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075465
PNG
(CHEMBL3415340)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H26F2N4O6S/c32-25-9-6-20(17-26(25)33)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-21-18-34-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)
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n/an/a 81n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075456
PNG
(CHEMBL3415332)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O |TLB:4:5:11:2.3.10,12:9:2:7.5.4,6:5:2:9.11.10,6:5:11:2.3.10,THB:4:3:7.5.8:11,8:5:2:9.11.10,8:9:2:7.5.4|
Show InChI InChI=1S/C37H42N4O6S/c1-35-17-25-18-36(2,21-35)23-37(19-25,22-35)33(43)40-14-11-27(12-15-40)41-30(32(42)39-34(41)44)16-24-6-8-28(9-7-24)47-48(45,46)31-5-3-4-26-20-38-13-10-29(26)31/h3-10,13,20,25,27,30H,11-12,14-19,21-23H2,1-2H3,(H,39,42,44)
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n/an/a 81n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075454
PNG
(CHEMBL3415330)
Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O |TLB:12:3:10:6.7.8,THB:8:7:4:10.9.11,8:9:6.7.12:4,12:7:10:3.4.11,2:3:10:6.7.8|
Show InChI InChI=1S/C36H40N4O6S/c41-33(21-36-18-24-14-25(19-36)16-26(15-24)20-36)39-12-9-28(10-13-39)40-31(34(42)38-35(40)43)17-23-4-6-29(7-5-23)46-47(44,45)32-3-1-2-27-22-37-11-8-30(27)32/h1-8,11,22,24-26,28,31H,9-10,12-21H2,(H,38,42,43)
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n/an/a 84n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075456
PNG
(CHEMBL3415332)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O |TLB:4:5:11:2.3.10,12:9:2:7.5.4,6:5:2:9.11.10,6:5:11:2.3.10,THB:4:3:7.5.8:11,8:5:2:9.11.10,8:9:2:7.5.4|
Show InChI InChI=1S/C37H42N4O6S/c1-35-17-25-18-36(2,21-35)23-37(19-25,22-35)33(43)40-14-11-27(12-15-40)41-30(32(42)39-34(41)44)16-24-6-8-28(9-7-24)47-48(45,46)31-5-3-4-26-20-38-13-10-29(26)31/h3-10,13,20,25,27,30H,11-12,14-19,21-23H2,1-2H3,(H,39,42,44)
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n/an/a 99n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075458
PNG
(CHEMBL3415334)
Show SMILES O=C(CC1CC2CCC1C2)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C33H36N4O6S/c38-31(19-25-17-22-4-7-23(25)16-22)36-14-11-26(12-15-36)37-29(32(39)35-33(37)40)18-21-5-8-27(9-6-21)43-44(41,42)30-3-1-2-24-20-34-13-10-28(24)30/h1-3,5-6,8-10,13,20,22-23,25-26,29H,4,7,11-12,14-19H2,(H,35,39,40)
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n/an/a 109n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075462
PNG
(CHEMBL3415338)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H27ClN4O6S/c32-23-8-6-21(7-9-23)30(38)35-16-13-24(14-17-35)36-27(29(37)34-31(36)39)18-20-4-10-25(11-5-20)42-43(40,41)28-3-1-2-22-19-33-15-12-26(22)28/h1-12,15,19,24,27H,13-14,16-18H2,(H,34,37,39)
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n/an/a 133n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075451
PNG
(CHEMBL3415314)
Show SMILES O=C(C1CCCCC1)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H34N4O6S/c36-29-27(35(31(38)33-29)24-14-17-34(18-15-24)30(37)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)41-42(39,40)28-8-4-7-23-20-32-16-13-26(23)28/h4,7-13,16,20,22,24,27H,1-3,5-6,14-15,17-19H2,(H,33,36,38)
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n/an/a 133n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075462
PNG
(CHEMBL3415338)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H27ClN4O6S/c32-23-8-6-21(7-9-23)30(38)35-16-13-24(14-17-35)36-27(29(37)34-31(36)39)18-20-4-10-25(11-5-20)42-43(40,41)28-3-1-2-22-19-33-15-12-26(22)28/h1-12,15,19,24,27H,13-14,16-18H2,(H,34,37,39)
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n/an/a 192n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075465
PNG
(CHEMBL3415340)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H26F2N4O6S/c32-25-9-6-20(17-26(25)33)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-21-18-34-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)
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n/an/a 217n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075461
PNG
(CHEMBL3415337)
Show SMILES Clc1cccc(c1)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H27ClN4O6S/c32-23-5-1-3-21(18-23)30(38)35-15-12-24(13-16-35)36-27(29(37)34-31(36)39)17-20-7-9-25(10-8-20)42-43(40,41)28-6-2-4-22-19-33-14-11-26(22)28/h1-11,14,18-19,24,27H,12-13,15-17H2,(H,34,37,39)
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n/an/a 220n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075468
PNG
(CHEMBL3415343)
Show SMILES Fc1cc(Cl)ccc1C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H26ClFN4O6S/c32-21-6-9-25(26(33)17-21)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-20-18-34-13-10-24(20)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)
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n/an/a 253n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075461
PNG
(CHEMBL3415337)
Show SMILES Clc1cccc(c1)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H27ClN4O6S/c32-23-5-1-3-21(18-23)30(38)35-15-12-24(13-16-35)36-27(29(37)34-31(36)39)17-20-7-9-25(10-8-20)42-43(40,41)28-6-2-4-22-19-33-14-11-26(22)28/h1-11,14,18-19,24,27H,12-13,15-17H2,(H,34,37,39)
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n/an/a 313n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075403
PNG
(CHEMBL3415325)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C29H32N4O7S/c1-29(2,3)39-28(36)32-15-12-21(13-16-32)33-24(26(34)31-27(33)35)17-19-7-9-22(10-8-19)40-41(37,38)25-6-4-5-20-18-30-14-11-23(20)25/h4-11,14,18,21,24H,12-13,15-17H2,1-3H3,(H,31,34,35)
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n/an/a 355n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075468
PNG
(CHEMBL3415343)
Show SMILES Fc1cc(Cl)ccc1C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H26ClFN4O6S/c32-21-6-9-25(26(33)17-21)30(39)36-14-11-22(12-15-36)37-27(29(38)35-31(37)40)16-19-4-7-23(8-5-19)43-44(41,42)28-3-1-2-20-18-34-13-10-24(20)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,35,38,40)
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n/an/a 423n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075469
PNG
(CHEMBL3415344)
Show SMILES CN1C(=O)C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(CC2)C(=O)c2ccc(Cl)c(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C33H28ClF3N4O6S/c1-39-31(43)28(17-20-5-8-24(9-6-20)47-48(45,46)29-4-2-3-22-19-38-14-11-25(22)29)41(32(39)44)23-12-15-40(16-13-23)30(42)21-7-10-27(34)26(18-21)33(35,36)37/h2-11,14,18-19,23,28H,12-13,15-17H2,1H3
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n/an/a 542n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075405
PNG
(CHEMBL3415327)
Show SMILES O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C31H28N4O6S/c36-29-27(35(31(38)33-29)24-14-17-34(18-15-24)30(37)22-5-2-1-3-6-22)19-21-9-11-25(12-10-21)41-42(39,40)28-8-4-7-23-20-32-16-13-26(23)28/h1-13,16,20,24,27H,14-15,17-19H2,(H,33,36,38)
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n/an/a 574n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075460
PNG
(CHEMBL3415336)
Show SMILES Clc1ccccc1C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H27ClN4O6S/c32-26-6-2-1-5-25(26)30(38)35-16-13-22(14-17-35)36-27(29(37)34-31(36)39)18-20-8-10-23(11-9-20)42-43(40,41)28-7-3-4-21-19-33-15-12-24(21)28/h1-12,15,19,22,27H,13-14,16-18H2,(H,34,37,39)
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n/an/a 666n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075406
PNG
(CHEMBL3415328)
Show SMILES O=C(N1CCC(CN2C(Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)C(=O)NC2=O)CC1)c1ccccc1
Show InChI InChI=1S/C32H30N4O6S/c37-30-28(36(32(39)34-30)21-23-14-17-35(18-15-23)31(38)24-5-2-1-3-6-24)19-22-9-11-26(12-10-22)42-43(40,41)29-8-4-7-25-20-33-16-13-27(25)29/h1-13,16,20,23,28H,14-15,17-19,21H2,(H,34,37,39)
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n/an/a 789n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075470
PNG
(CHEMBL3415345)
Show SMILES CCN1C(=O)C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(CC2)C(=O)c2ccc(Cl)c(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C34H30ClF3N4O6S/c1-2-41-32(44)29(18-21-6-9-25(10-7-21)48-49(46,47)30-5-3-4-23-20-39-15-12-26(23)30)42(33(41)45)24-13-16-40(17-14-24)31(43)22-8-11-28(35)27(19-22)34(36,37)38/h3-12,15,19-20,24,29H,2,13-14,16-18H2,1H3
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n/an/a 847n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075402
PNG
(CHEMBL3415323)
Show SMILES CC(C)(C)OC(=O)N1CCC(CN2C(Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)C(=O)NC2=O)CC1
Show InChI InChI=1S/C30H34N4O7S/c1-30(2,3)40-29(37)33-15-12-21(13-16-33)19-34-25(27(35)32-28(34)36)17-20-7-9-23(10-8-20)41-42(38,39)26-6-4-5-22-18-31-14-11-24(22)26/h4-11,14,18,21,25H,12-13,15-17,19H2,1-3H3,(H,32,35,36)
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n/an/a 885n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075463
PNG
(CHEMBL3415339)
Show SMILES Fc1ccc(cc1)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C31H27FN4O6S/c32-23-8-6-21(7-9-23)30(38)35-16-13-24(14-17-35)36-27(29(37)34-31(36)39)18-20-4-10-25(11-5-20)42-43(40,41)28-3-1-2-22-19-33-15-12-26(22)28/h1-12,15,19,24,27H,13-14,16-18H2,(H,34,37,39)
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n/an/a 913n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075464
PNG
(CHEMBL159992)
Show SMILES O=C([C@@H]1Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2CN1S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C38H33N5O6S2/c44-38(42-20-18-41(19-21-42)31-8-2-1-3-9-31)35-23-27-12-13-32(49-51(47,48)37-11-5-7-29-25-40-17-15-34(29)37)22-30(27)26-43(35)50(45,46)36-10-4-6-28-24-39-16-14-33(28)36/h1-17,22,24-25,35H,18-21,23,26H2/t35-/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075407
PNG
(CHEMBL3415306)
Show SMILES CC(C)(C)OC(=O)N1CCC(CCN2C(Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)C(=O)NC2=O)CC1
Show InChI InChI=1S/C31H36N4O7S/c1-31(2,3)41-30(38)34-16-12-21(13-17-34)14-18-35-26(28(36)33-29(35)37)19-22-7-9-24(10-8-22)42-43(39,40)27-6-4-5-23-20-32-15-11-25(23)27/h4-11,15,20-21,26H,12-14,16-19H2,1-3H3,(H,33,36,37)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075404
PNG
(CHEMBL3415326)
Show SMILES O=C1NC(=O)N(C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H30N4O5S/c36-30-28(35(31(37)33-30)25-14-17-34(18-15-25)21-23-5-2-1-3-6-23)19-22-9-11-26(12-10-22)40-41(38,39)29-8-4-7-24-20-32-16-13-27(24)29/h1-13,16,20,25,28H,14-15,17-19,21H2,(H,33,36,37)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075471
PNG
(CHEMBL3415346)
Show SMILES CCCN1C(=O)C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(CC2)C(=O)c2ccc(Cl)c(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C35H32ClF3N4O6S/c1-2-16-42-33(45)30(19-22-6-9-26(10-7-22)49-50(47,48)31-5-3-4-24-21-40-15-12-27(24)31)43(34(42)46)25-13-17-41(18-14-25)32(44)23-8-11-29(36)28(20-23)35(37,38)39/h3-12,15,20-21,25,30H,2,13-14,16-19H2,1H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075401
PNG
(CHEMBL3415322)
Show SMILES O=C1NC(=O)N(CC2CCN(Cc3ccccc3)CC2)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C32H32N4O5S/c37-31-29(36(32(38)34-31)22-25-14-17-35(18-15-25)21-24-5-2-1-3-6-24)19-23-9-11-27(12-10-23)41-42(39,40)30-8-4-7-26-20-33-16-13-28(26)30/h1-13,16,20,25,29H,14-15,17-19,21-22H2,(H,34,37,38)
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n/an/a 1.82E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075397
PNG
(CHEMBL3415318)
Show SMILES CC(C)(C)OC(=O)N1CCC(CN2C(Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)C(=O)N(Cc3cccc4cnccc34)C2=O)CC1
Show InChI InChI=1S/C40H41N5O7S/c1-40(2,3)51-39(48)43-20-16-28(17-21-43)25-44-35(37(46)45(38(44)47)26-31-8-4-6-29-23-41-18-14-33(29)31)22-27-10-12-32(13-11-27)52-53(49,50)36-9-5-7-30-24-42-19-15-34(30)36/h4-15,18-19,23-24,28,35H,16-17,20-22,25-26H2,1-3H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075453
PNG
(CHEMBL3415329)
Show SMILES O=C1NC(=O)N(C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C1CCN(CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:42:33:40:36.37.38,THB:38:37:34:40.39.41,38:39:36.37.42:34,42:37:40:33.34.41,32:33:40:36.37.38|
Show InChI InChI=1S/C35H40N4O5S/c40-33-31(17-23-4-6-29(7-5-23)44-45(42,43)32-3-1-2-27-21-36-11-8-30(27)32)39(34(41)37-33)28-9-12-38(13-10-28)22-35-18-24-14-25(19-35)16-26(15-24)20-35/h1-8,11,21,24-26,28,31H,9-10,12-20,22H2,(H,37,40,41)
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n/an/a 2.29E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50075472
PNG
(CHEMBL3415347)
Show SMILES CC(C)N1C(=O)C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(CC2)C(=O)c2ccc(Cl)c(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C35H32ClF3N4O6S/c1-21(2)42-33(45)30(18-22-6-9-26(10-7-22)49-50(47,48)31-5-3-4-24-20-40-15-12-27(24)31)43(34(42)46)25-13-16-41(17-14-25)32(44)23-8-11-29(36)28(19-23)35(37,38)39/h3-12,15,19-21,25,30H,13-14,16-18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 3.24E+3n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...

J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
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