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PubMed code 19110420

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256760
PNG
(9-(4,5-Dimethoxy-2-nitro-benzyloxy)-13-ethyl-2,3,1...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3cc(OC)c(OC)cc3[N+]([O-])=O)c(OC)ccc12
Show InChI InChI=1S/C31H33N2O8/c1-7-20-21-8-9-25(36-2)31(41-17-19-13-27(38-4)29(40-6)15-24(19)33(34)35)23(21)16-32-11-10-18-12-26(37-3)28(39-5)14-22(18)30(20)32/h8-9,12-16H,7,10-11,17H2,1-6H3/q+1
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n/an/a 170n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256650
PNG
(13-(3,5-Dimethoxy-benzyl)-9,10-dimethoxy-5,6-dihyd...)
Show SMILES COc1cc(Cc2c3-c4cc5OCOc5cc4CC[n+]3cc3c(OC)c(OC)ccc23)cc(OC)c1
Show InChI InChI=1S/C29H28NO6/c1-31-19-9-17(10-20(13-19)32-2)11-23-21-5-6-25(33-3)29(34-4)24(21)15-30-8-7-18-12-26-27(36-16-35-26)14-22(18)28(23)30/h5-6,9-10,12-15H,7-8,11,16H2,1-4H3/q+1
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n/an/a 260n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
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 340n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256602
PNG
(13-Ethyl-9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4...)
Show SMILES CCc1c2-c3cc4OCOc4cc3CC[n+]2cc2c(OC)c(OC)ccc12
Show InChI InChI=1S/C22H22NO4/c1-4-14-15-5-6-18(24-2)22(25-3)17(15)11-23-8-7-13-9-19-20(27-12-26-19)10-16(13)21(14)23/h5-6,9-11H,4,7-8,12H2,1-3H3/q+1
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n/an/a 350n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256651
PNG
(13-(2-Chloro-6-fluoro-benzyl)-9,10-dimethoxy-5,6-d...)
Show SMILES COc1ccc2c(Cc3c(F)cccc3Cl)c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C27H22ClFNO4/c1-31-23-7-6-16-18(11-19-21(28)4-3-5-22(19)29)26-17-12-25-24(33-14-34-25)10-15(17)8-9-30(26)13-20(16)27(23)32-2/h3-7,10,12-13H,8-9,11,14H2,1-2H3/q+1
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n/an/a 400n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256736
PNG
(13-Ethyl-2,3,10-trimethoxy-9-(2-methoxy-5-nitro-be...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3cc(ccc3OC)[N+]([O-])=O)c(OC)ccc12
Show InChI InChI=1S/C30H31N2O7/c1-6-21-22-8-10-26(36-3)30(39-17-19-13-20(32(33)34)7-9-25(19)35-2)24(22)16-31-12-11-18-14-27(37-4)28(38-5)15-23(18)29(21)31/h7-10,13-16H,6,11-12,17H2,1-5H3/q+1
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n/an/a 420n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256604
PNG
(13-(1-Iodo-butyl)-9,10-dimethoxy-5,6-dihydro-[1,3]...)
Show SMILES CCCC(I)c1c2-c3cc4OCOc4cc3CC[n+]2cc2c(OC)c(OC)ccc12
Show InChI InChI=1S/C24H25INO4/c1-4-5-18(25)22-15-6-7-19(27-2)24(28-3)17(15)12-26-9-8-14-10-20-21(30-13-29-20)11-16(14)23(22)26/h6-7,10-12,18H,4-5,8-9,13H2,1-3H3/q+1
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n/an/a 420n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256603
PNG
(13-Allyl-9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4...)
Show SMILES COc1ccc2c(CC=C)c3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C23H22NO4/c1-4-5-16-15-6-7-19(25-2)23(26-3)18(15)12-24-9-8-14-10-20-21(28-13-27-20)11-17(14)22(16)24/h4,6-7,10-12H,1,5,8-9,13H2,2-3H3/q+1
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n/an/a 440n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256652
PNG
(2,3,9,10-Tetramethoxy-13-propyl-5,6-dihydro-isoqui...)
Show SMILES CCCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OC)c(OC)ccc12
Show InChI InChI=1S/C24H28NO4/c1-6-7-17-16-8-9-20(26-2)24(29-5)19(16)14-25-11-10-15-12-21(27-3)22(28-4)13-18(15)23(17)25/h8-9,12-14H,6-7,10-11H2,1-5H3/q+1
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n/an/a 500n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256601
PNG
((13R,13aS)-13-Ethyl-9,10-dimethoxy-5,8,13,13a-tetr...)
Show SMILES CC[C@H]1[C@@H]2N(CCc3cc4OCOc4cc23)Cc2c1ccc(OC)c2OC |r|
Show InChI InChI=1S/C22H25NO4/c1-4-14-15-5-6-18(24-2)22(25-3)17(15)11-23-8-7-13-9-19-20(27-12-26-19)10-16(13)21(14)23/h5-6,9-10,14,21H,4,7-8,11-12H2,1-3H3/t14-,21+/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256737
PNG
(13-Ethyl-2,3,10-trimethoxy-9-(5-methyl-2-nitro-ben...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3cc(C)ccc3[N+]([O-])=O)c(OC)ccc12
Show InChI InChI=1S/C30H31N2O6/c1-6-21-22-8-10-26(35-3)30(38-17-20-13-18(2)7-9-25(20)32(33)34)24(22)16-31-12-11-19-14-27(36-4)28(37-5)15-23(19)29(21)31/h7-10,13-16H,6,11-12,17H2,1-5H3/q+1
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n/an/a 730n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256735
PNG
(13-Ethyl-9-(4-fluoro-2-trifluoromethyl-benzyloxy)-...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3ccc(F)cc3C(F)(F)F)c(OC)ccc12
Show InChI InChI=1S/C30H28F4NO4/c1-5-20-21-8-9-25(36-2)29(39-16-18-6-7-19(31)13-24(18)30(32,33)34)23(21)15-35-11-10-17-12-26(37-3)27(38-4)14-22(17)28(20)35/h6-9,12-15H,5,10-11,16H2,1-4H3/q+1
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n/an/a 820n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256653
PNG
(13-Cyclohexylmethyl-2,3,9,10-tetramethoxy-5,6-dihy...)
Show SMILES COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4c(CC4CCCCC4)c3-c2cc1OC
Show InChI InChI=1S/C28H34NO4/c1-30-24-11-10-20-22(14-18-8-6-5-7-9-18)27-21-16-26(32-3)25(31-2)15-19(21)12-13-29(27)17-23(20)28(24)33-4/h10-11,15-18H,5-9,12-14H2,1-4H3/q+1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256761
PNG
(9-(4-tert-Butyl-benzyloxy)-13-ethyl-2,3,10-trimeth...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3ccc(cc3)C(C)(C)C)c(OC)ccc12
Show InChI InChI=1S/C33H38NO4/c1-8-24-25-13-14-28(35-5)32(38-20-21-9-11-23(12-10-21)33(2,3)4)27(25)19-34-16-15-22-17-29(36-6)30(37-7)18-26(22)31(24)34/h9-14,17-19H,8,15-16,20H2,1-7H3/q+1
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n/an/a 1.26E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256759
PNG
(9-(2,5-Dimethyl-benzyloxy)-13-ethyl-2,3,10-trimeth...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3cc(C)ccc3C)c(OC)ccc12
Show InChI InChI=1S/C31H34NO4/c1-7-23-24-10-11-27(33-4)31(36-18-22-14-19(2)8-9-20(22)3)26(24)17-32-13-12-21-15-28(34-5)29(35-6)16-25(21)30(23)32/h8-11,14-17H,7,12-13,18H2,1-6H3/q+1
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n/an/a 1.53E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256692
PNG
(13-Ethyl-2,3,10-trimethoxy-9-(2-trifluoromethyl-be...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3ccccc3C(F)(F)F)c(OC)ccc12
Show InChI InChI=1S/C30H29F3NO4/c1-5-20-21-10-11-25(35-2)29(38-17-19-8-6-7-9-24(19)30(31,32)33)23(21)16-34-13-12-18-14-26(36-3)27(37-4)15-22(18)28(20)34/h6-11,14-16H,5,12-13,17H2,1-4H3/q+1
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n/an/a 2.56E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256762
PNG
(9-(4-Bromo-benzyloxy)-13-ethyl-2,3,10-trimethoxy-5...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3ccc(Br)cc3)c(OC)ccc12
Show InChI InChI=1S/C29H29BrNO4/c1-5-21-22-10-11-25(32-2)29(35-17-18-6-8-20(30)9-7-18)24(22)16-31-13-12-19-14-26(33-3)27(34-4)15-23(19)28(21)31/h6-11,14-16H,5,12-13,17H2,1-4H3/q+1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50255993
PNG
(9-(3-Chloro-benzyloxy)-13-ethyl-2,3,10-trimethoxy-...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3cccc(Cl)c3)c(OC)ccc12
Show InChI InChI=1S/C29H29ClNO4/c1-5-21-22-9-10-25(32-2)29(35-17-18-7-6-8-20(30)13-18)24(22)16-31-12-11-19-14-26(33-3)27(34-4)15-23(19)28(21)31/h6-10,13-16H,5,11-12,17H2,1-4H3/q+1
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n/an/a 2.66E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256763
PNG
(9-(4-Benzyloxy-benzyloxy)-13-ethyl-2,3,10-trimetho...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3ccc(OCc4ccccc4)cc3)c(OC)ccc12
Show InChI InChI=1S/C36H36NO5/c1-5-28-29-15-16-32(38-2)36(42-23-25-11-13-27(14-12-25)41-22-24-9-7-6-8-10-24)31(29)21-37-18-17-26-19-33(39-3)34(40-4)20-30(26)35(28)37/h6-16,19-21H,5,17-18,22-23H2,1-4H3/q+1
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n/an/a 2.81E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256764
PNG
(9-(Biphenyl-4-ylmethoxy)-13-ethyl-2,3,10-trimethox...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3ccc(cc3)-c3ccccc3)c(OC)ccc12
Show InChI InChI=1S/C35H34NO4/c1-5-27-28-15-16-31(37-2)35(40-22-23-11-13-25(14-12-23)24-9-7-6-8-10-24)30(28)21-36-18-17-26-19-32(38-3)33(39-4)20-29(26)34(27)36/h6-16,19-21H,5,17-18,22H2,1-4H3/q+1
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n/an/a 3.22E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50255994
PNG
(9-(6-Chloro-pyridin-3-ylmethoxy)-13-ethyl-2,3,10-t...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3ccc(Cl)nc3)c(OC)ccc12
Show InChI InChI=1S/C28H28ClN2O4/c1-5-19-20-7-8-23(32-2)28(35-16-17-6-9-26(29)30-14-17)22(20)15-31-11-10-18-12-24(33-3)25(34-4)13-21(18)27(19)31/h6-9,12-15H,5,10-11,16H2,1-4H3/q+1
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n/an/a 4.41E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256691
PNG
(13-Ethyl-2,3,10-trimethoxy-9-(2-methyl-benzyloxy)-...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3ccccc3C)c(OC)ccc12
Show InChI InChI=1S/C30H32NO4/c1-6-22-23-11-12-26(32-3)30(35-18-21-10-8-7-9-19(21)2)25(23)17-31-14-13-20-15-27(33-4)28(34-5)16-24(20)29(22)31/h7-12,15-17H,6,13-14,18H2,1-5H3/q+1
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n/an/a 5.02E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256693
PNG
(13-Ethyl-2,3,10-trimethoxy-9-(2-methyl-3-nitro-ben...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3cccc(c3C)[N+]([O-])=O)c(OC)ccc12
Show InChI InChI=1S/C30H31N2O6/c1-6-21-22-10-11-26(35-3)30(38-17-20-8-7-9-25(18(20)2)32(33)34)24(22)16-31-13-12-19-14-27(36-4)28(37-5)15-23(19)29(21)31/h7-11,14-16H,6,12-13,17H2,1-5H3/q+1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%