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PubMed code 18078749

Compile data set for download or QSAR
Found 22 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))		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 40n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human purinergic P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced K(+) efflux

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
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 117n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
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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Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230056
PNG
((S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycar...)
Show SMILES Cc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)cc(C)c1OS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C36H37N3O7S/c1-26-22-29(23-27(2)33(26)46-47(43,44)31-16-10-5-11-17-31)24-32(37-36(42)45-25-28-12-6-3-7-13-28)35(41)39-20-18-38(19-21-39)34(40)30-14-8-4-9-15-30/h3-17,22-23,32H,18-21,24-25H2,1-2H3,(H,37,42)/t32-/m0/s1
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n/an/a 219n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230067
PNG
(4-((S)-3-((R)-4-benzoyl-3-methylpiperazin-1-yl)-2-...)
Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccccc1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H37N3O7S/c1-26-13-19-32(20-14-26)47(43,44)46-31-17-15-28(16-18-31)23-33(37-36(42)45-25-29-9-5-3-6-10-29)35(41)38-21-22-39(27(2)24-38)34(40)30-11-7-4-8-12-30/h3-20,27,33H,21-25H2,1-2H3,(H,37,42)/t27-,33+/m1/s1
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n/an/a 256n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230055
PNG
(4-((S)-3-((S)-4-benzoyl-3-methylpiperazin-1-yl)-2-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C36H37N3O7S/c1-26-13-19-32(20-14-26)47(43,44)46-31-17-15-28(16-18-31)23-33(37-36(42)45-25-29-9-5-3-6-10-29)35(41)38-21-22-39(27(2)24-38)34(40)30-11-7-4-8-12-30/h3-20,27,33H,21-25H2,1-2H3,(H,37,42)/t27-,33-/m0/s1
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Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230058
PNG
((S)-4-(2-(benzyloxycarbonyl)-3-(4-(4-fluorobenzoyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C35H34FN3O7S/c1-25-7-17-31(18-8-25)47(43,44)46-30-15-9-26(10-16-30)23-32(37-35(42)45-24-27-5-3-2-4-6-27)34(41)39-21-19-38(20-22-39)33(40)28-11-13-29(36)14-12-28/h2-18,32H,19-24H2,1H3,(H,37,42)/t32-/m0/s1
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n/an/a 319n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230053
PNG
((S)-4-(2-(benzyloxycarbonyl)-3-(4-(4-bromobenzoyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C35H34BrN3O7S/c1-25-7-17-31(18-8-25)47(43,44)46-30-15-9-26(10-16-30)23-32(37-35(42)45-24-27-5-3-2-4-6-27)34(41)39-21-19-38(20-22-39)33(40)28-11-13-29(36)14-12-28/h2-18,32H,19-24H2,1H3,(H,37,42)/t32-/m0/s1
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n/an/a 481n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230059
PNG
(4-((S)-3-((S)-4-benzoyl-2-methylpiperazin-1-yl)-2-...)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)OCc1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C36H37N3O7S/c1-26-13-19-32(20-14-26)47(43,44)46-31-17-15-28(16-18-31)23-33(37-36(42)45-25-29-9-5-3-6-10-29)35(41)39-22-21-38(24-27(39)2)34(40)30-11-7-4-8-12-30/h3-20,27,33H,21-25H2,1-2H3,(H,37,42)/t27-,33-/m0/s1
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n/an/a 504n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230071
PNG
((S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(4-br...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H36BrN3O8S/c1-32(2,3)43-31(39)36-19-17-35(18-20-36)29(37)28(34-30(38)42-22-24-7-5-4-6-8-24)21-23-9-13-26(14-10-23)44-45(40,41)27-15-11-25(33)12-16-27/h4-16,28H,17-22H2,1-3H3,(H,34,38)/t28-/m0/s1
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n/an/a 517n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230060
PNG
(4-((S)-2-(benzyloxycarbonyl)-3-((S)-4-(4-(dimethyl...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc(cc1)N(C)C)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(cc2)C#N)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H39N5O7S/c1-27-25-42(21-22-43(27)36(44)31-13-15-32(16-14-31)41(2)3)37(45)35(40-38(46)49-26-30-7-5-4-6-8-30)23-28-9-17-33(18-10-28)50-51(47,48)34-19-11-29(24-39)12-20-34/h4-20,27,35H,21-23,25-26H2,1-3H3,(H,40,46)/t27-,35-/m0/s1
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n/an/a 539n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230068
PNG
((S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycar...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C35H35N3O7S/c1-26-12-18-31(19-13-26)46(42,43)45-30-16-14-27(15-17-30)24-32(36-35(41)44-25-28-8-4-2-5-9-28)34(40)38-22-20-37(21-23-38)33(39)29-10-6-3-7-11-29/h2-19,32H,20-25H2,1H3,(H,36,41)/t32-/m0/s1
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n/an/a 599n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230073
PNG
((S)-4-(2-(benzyloxycarbonyl)-3-oxo-3-(4-(4-(triflu...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C36H34F3N3O7S/c1-25-7-17-31(18-8-25)50(46,47)49-30-15-9-26(10-16-30)23-32(40-35(45)48-24-27-5-3-2-4-6-27)34(44)42-21-19-41(20-22-42)33(43)28-11-13-29(14-12-28)36(37,38)39/h2-18,32H,19-24H2,1H3,(H,40,45)/t32-/m0/s1
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n/an/a 724n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230065
PNG
((S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(4-(t...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H36F3N3O9S/c1-32(2,3)47-31(42)39-19-17-38(18-20-39)29(40)28(37-30(41)45-22-24-7-5-4-6-8-24)21-23-9-11-26(12-10-23)48-49(43,44)27-15-13-25(14-16-27)46-33(34,35)36/h4-16,28H,17-22H2,1-3H3,(H,37,41)/t28-/m0/s1
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n/an/a 725n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230057
PNG
((S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(4-cy...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(cc2)C#N)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H36N4O8S/c1-33(2,3)44-32(40)37-19-17-36(18-20-37)30(38)29(35-31(39)43-23-26-7-5-4-6-8-26)21-24-9-13-27(14-10-24)45-46(41,42)28-15-11-25(22-34)12-16-28/h4-16,29H,17-21,23H2,1-3H3,(H,35,39)/t29-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230054
PNG
((R)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(tosy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C33H39N3O8S/c1-24-10-16-28(17-11-24)45(40,41)44-27-14-12-25(13-15-27)22-29(34-31(38)42-23-26-8-6-5-7-9-26)30(37)35-18-20-36(21-19-35)32(39)43-33(2,3)4/h5-17,29H,18-23H2,1-4H3,(H,34,38)/t29-/m1/s1
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n/an/a 861n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230062
PNG
((S)-4-(3-(4-benzoylpiperazin-1-yl)-2-(benzyloxycar...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C36H37N3O7S/c1-27-13-19-32(20-14-27)47(43,44)46-31-17-15-28(16-18-31)25-33(37(2)36(42)45-26-29-9-5-3-6-10-29)35(41)39-23-21-38(22-24-39)34(40)30-11-7-4-8-12-30/h3-20,33H,21-26H2,1-2H3/t33-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230064
PNG
((S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(tosy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C33H39N3O8S/c1-24-10-16-28(17-11-24)45(40,41)44-27-14-12-25(13-15-27)22-29(34-31(38)42-23-26-8-6-5-7-9-26)30(37)35-18-20-36(21-19-35)32(39)43-33(2,3)4/h5-17,29H,18-23H2,1-4H3,(H,34,38)/t29-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230070
PNG
((S)-4-(2-(benzyloxycarbonyl)-3-(4-(4-(dimethylamin...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H40N4O7S/c1-27-9-19-33(20-10-27)49(45,46)48-32-17-11-28(12-18-32)25-34(38-37(44)47-26-29-7-5-4-6-8-29)36(43)41-23-21-40(22-24-41)35(42)30-13-15-31(16-14-30)39(2)3/h4-20,34H,21-26H2,1-3H3,(H,38,44)/t34-/m0/s1
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n/an/a 2.01E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230063
PNG
((S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(4-(b...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(CBr)cc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H38BrN3O8S/c1-33(2,3)44-32(40)37-19-17-36(18-20-37)30(38)29(35-31(39)43-23-26-7-5-4-6-8-26)21-24-9-13-27(14-10-24)45-46(41,42)28-15-11-25(22-34)12-16-28/h4-16,29H,17-23H2,1-3H3,(H,35,39)/t29-/m0/s1
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n/an/a 2.46E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230069
PNG
((S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(4-io...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H36IN3O8S/c1-32(2,3)43-31(39)36-19-17-35(18-20-36)29(37)28(34-30(38)42-22-24-7-5-4-6-8-24)21-23-9-13-26(14-10-23)44-45(40,41)27-15-11-25(33)12-16-27/h4-16,28H,17-22H2,1-3H3,(H,34,38)/t28-/m0/s1
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n/an/a 3.54E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50230066
PNG
((S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(4-fl...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H36FN3O8S/c1-32(2,3)43-31(39)36-19-17-35(18-20-36)29(37)28(34-30(38)42-22-24-7-5-4-6-8-24)21-23-9-13-26(14-10-23)44-45(40,41)27-15-11-25(33)12-16-27/h4-16,28H,17-22H2,1-3H3,(H,34,38)/t28-/m0/s1
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n/an/a 5.88E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 571-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.077
BindingDB Entry DOI: 10.7270/Q2M61K0P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%