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PubMed code 21570840

Compile data set for download or QSAR
Found 44 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))
BDBM50344933
PNG
((R)-5-ethyl-2-(4-fluorophenyl)-7-isopropyl-1-(3,4,...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2cc(F)c(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H23F4N5O/c1-4-32-24(35)21-23(34-12-19(13(2)3)30-25(32)34)33(11-14-9-17(27)20(29)18(28)10-14)22(31-21)15-5-7-16(26)8-6-15/h5-10,13,19H,4,11-12H2,1-3H3/t19-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344920
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(OC(F)(F)F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C26H24F5N5O2/c1-4-34-24(37)21-23(36-13-20(14(2)3)32-25(34)36)35(12-15-5-10-18(27)19(28)11-15)22(33-21)16-6-8-17(9-7-16)38-26(29,30)31/h5-11,14,20H,4,12-13H2,1-3H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344903
PNG
((R)-1-(3,4-difluorobenzyl)-2-(6-(3,3-difluoropiper...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCCC(F)(F)C3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C30H31F4N7O2/c1-4-39-28(43)24-26(41-15-23(17(2)3)36-29(39)41)40(14-18-6-8-20(31)21(32)12-18)25(37-24)19-7-9-22(35-13-19)27(42)38-11-5-10-30(33,34)16-38/h6-9,12-13,17,23H,4-5,10-11,14-16H2,1-3H3/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344937
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-2-(4-fluorophen...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H24F3N5O/c1-4-31-24(34)21-23(33-13-20(14(2)3)29-25(31)33)32(12-15-5-10-18(27)19(28)11-15)22(30-21)16-6-8-17(26)9-7-16/h5-11,14,20H,4,12-13H2,1-3H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344914
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-2-(6-fluoropyri...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)nc3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C24H23F3N6O/c1-4-31-23(34)20-22(33-12-18(13(2)3)29-24(31)33)32(11-14-5-7-16(25)17(26)9-14)21(30-20)15-6-8-19(27)28-10-15/h5-10,13,18H,4,11-12H2,1-3H3/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344936
PNG
((R)-1-(2,4-difluorobenzyl)-5-ethyl-2-(4-fluorophen...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)cc2F)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H24F3N5O/c1-4-31-24(34)21-23(33-13-20(14(2)3)29-25(31)33)32(12-16-7-10-18(27)11-19(16)28)22(30-21)15-5-8-17(26)9-6-15/h5-11,14,20H,4,12-13H2,1-3H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344934
PNG
((R)-1-(3,5-difluorobenzyl)-5-ethyl-2-(4-fluorophen...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2cc(F)cc(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H24F3N5O/c1-4-31-24(34)21-23(33-13-20(14(2)3)29-25(31)33)32(12-15-9-18(27)11-19(28)10-15)22(30-21)16-5-7-17(26)8-6-16/h5-11,14,20H,4,12-13H2,1-3H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344918
PNG
((R)-4-(1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(cc3)C#N)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C26H24F2N6O/c1-4-32-25(35)22-24(34-14-21(15(2)3)30-26(32)34)33(13-17-7-10-19(27)20(28)11-17)23(31-22)18-8-5-16(12-29)6-9-18/h5-11,15,21H,4,13-14H2,1-3H3/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344929
PNG
((R)-7-tert-butyl-1-(3,4-difluorobenzyl)-5-ethyl-2-...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)(C)C |r,t:3|
Show InChI InChI=1S/C26H26F3N5O/c1-5-32-24(35)21-23(34-14-20(26(2,3)4)30-25(32)34)33(13-15-6-11-18(28)19(29)12-15)22(31-21)16-7-9-17(27)10-8-16/h6-12,20H,5,13-14H2,1-4H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344913
PNG
((R)-5-(1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C#N)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H23F2N7O/c1-4-32-24(35)21-23(34-13-20(14(2)3)30-25(32)34)33(12-15-5-8-18(26)19(27)9-15)22(31-21)16-6-7-17(10-28)29-11-16/h5-9,11,14,20H,4,12-13H2,1-3H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344907
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCCCC3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C30H33F2N7O2/c1-4-37-29(41)25-27(39-17-24(18(2)3)34-30(37)39)38(16-19-8-10-21(31)22(32)14-19)26(35-25)20-9-11-23(33-15-20)28(40)36-12-6-5-7-13-36/h8-11,14-15,18,24H,4-7,12-13,16-17H2,1-3H3/t24-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344906
PNG
((R)-1-(3,4-difluorobenzyl)-2-(6-((2R,6S)-2,6-dimet...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3[C@@H](C)CCC[C@H]3C)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C32H37F2N7O2/c1-6-38-31(43)27-29(40-17-26(18(2)3)36-32(38)40)39(16-21-10-12-23(33)24(34)14-21)28(37-27)22-11-13-25(35-15-22)30(42)41-19(4)8-7-9-20(41)5/h10-15,18-20,26H,6-9,16-17H2,1-5H3/t19-,20+,26-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344926
PNG
((R)-7-sec-butyl-1-(3,4-difluorobenzyl)-5-ethyl-2-(...)
Show SMILES CC[C@H](C)[C@@H]1CN2C(=N1)N(CC)C(=O)c1nc(-c3ccc(F)cc3)n(Cc3ccc(F)c(F)c3)c21 |r,c:7|
Show InChI InChI=1S/C26H26F3N5O/c1-4-15(3)21-14-34-24-22(25(35)32(5-2)26(34)30-21)31-23(17-7-9-18(27)10-8-17)33(24)13-16-6-11-19(28)20(29)12-16/h6-12,15,21H,4-5,13-14H2,1-3H3/t15-,21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344912
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(F)(F)F)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H23F5N6O/c1-4-34-23(37)20-22(36-12-18(13(2)3)32-24(34)36)35(11-14-5-7-16(26)17(27)9-14)21(33-20)15-6-8-19(31-10-15)25(28,29)30/h5-10,13,18H,4,11-12H2,1-3H3/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344904
PNG
((R)-1-(3,4-difluorobenzyl)-2-(6-(4,4-difluoropiper...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCC(F)(F)CC3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C30H31F4N7O2/c1-4-39-28(43)24-26(41-16-23(17(2)3)36-29(39)41)40(15-18-5-7-20(31)21(32)13-18)25(37-24)19-6-8-22(35-14-19)27(42)38-11-9-30(33,34)10-12-38/h5-8,13-14,17,23H,4,9-12,15-16H2,1-3H3/t23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344935
PNG
((R)-5-ethyl-1-(4-fluorobenzyl)-2-(4-fluorophenyl)-...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)cc2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H25F2N5O/c1-4-30-24(33)21-23(32-14-20(15(2)3)28-25(30)32)31(13-16-5-9-18(26)10-6-16)22(29-21)17-7-11-19(27)12-8-17/h5-12,15,20H,4,13-14H2,1-3H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344928
PNG
((R)-7-cyclopropyl-1-(3,4-difluorobenzyl)-5-ethyl-2...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C1CC1 |r,t:3|
Show InChI InChI=1S/C25H22F3N5O/c1-2-31-24(34)21-23(33-13-20(15-4-5-15)29-25(31)33)32(12-14-3-10-18(27)19(28)11-14)22(30-21)16-6-8-17(26)9-7-16/h3,6-11,15,20H,2,4-5,12-13H2,1H3/t20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344919
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3cccc(OC(F)(F)F)c3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C26H24F5N5O2/c1-4-34-24(37)21-23(36-13-20(14(2)3)32-25(34)36)35(12-15-8-9-18(27)19(28)10-15)22(33-21)16-6-5-7-17(11-16)38-26(29,30)31/h5-11,14,20H,4,12-13H2,1-3H3/t20-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344910
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)N3CCCCC3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C29H33F2N7O/c1-4-36-28(39)25-27(38-17-23(18(2)3)33-29(36)38)37(16-19-8-10-21(30)22(31)14-19)26(34-25)20-9-11-24(32-15-20)35-12-6-5-7-13-35/h8-11,14-15,18,23H,4-7,12-13,16-17H2,1-3H3/t23-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344916
PNG
((R)-5-(1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)c(c3)C#N)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C26H23F3N6O/c1-4-33-25(36)22-24(35-13-21(14(2)3)31-26(33)35)34(12-15-5-7-19(28)20(29)9-15)23(32-22)16-6-8-18(27)17(10-16)11-30/h5-10,14,21H,4,12-13H2,1-3H3/t21-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344905
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCOCC3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C29H31F2N7O3/c1-4-36-28(40)24-26(38-16-23(17(2)3)33-29(36)38)37(15-18-5-7-20(30)21(31)13-18)25(34-24)19-6-8-22(32-14-19)27(39)35-9-11-41-12-10-35/h5-8,13-14,17,23H,4,9-12,15-16H2,1-3H3/t23-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344927
PNG
((R)-7-cyclopentyl-1-(3,4-difluorobenzyl)-5-ethyl-2...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)C1CCCC1 |r,t:3|
Show InChI InChI=1S/C27H26F3N5O/c1-2-33-26(36)23-25(35-15-22(31-27(33)35)17-5-3-4-6-17)34(14-16-7-12-20(29)21(30)13-16)24(32-23)18-8-10-19(28)11-9-18/h7-13,17,22H,2-6,14-15H2,1H3/t22-/m0/s1
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n/an/a 111n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344932
PNG
((R)-1-(cyclopentylmethyl)-5-ethyl-2-(4-fluoropheny...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2CC2CCCC2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C24H30FN5O/c1-4-28-23(31)20-22(30-14-19(15(2)3)26-24(28)30)29(13-16-7-5-6-8-16)21(27-20)17-9-11-18(25)12-10-17/h9-12,15-16,19H,4-8,13-14H2,1-3H3/t19-/m0/s1
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n/an/a 114n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344917
PNG
((R)-4-(1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(C#N)c(F)c3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C26H23F3N6O/c1-4-33-25(36)22-24(35-13-21(14(2)3)31-26(33)35)34(12-15-5-8-18(27)20(29)9-15)23(32-22)16-6-7-17(11-30)19(28)10-16/h5-10,14,21H,4,12-13H2,1-3H3/t21-/m0/s1
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n/an/a 114n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344923
PNG
(1-(3,4-difluorobenzyl)-5-ethyl-2-(4-fluorophenyl)-...)
Show SMILES CCN1C2=NC3(CCc4ccccc34)CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O |t:3|
Show InChI InChI=1S/C30H24F3N5O/c1-2-36-28(39)25-27(38-17-30(35-29(36)38)14-13-19-5-3-4-6-22(19)30)37(16-18-7-12-23(32)24(33)15-18)26(34-25)20-8-10-21(31)11-9-20/h3-12,15H,2,13-14,16-17H2,1H3
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n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344925
PNG
(1-(3,4-difluorobenzyl)-5-ethyl-2-(4-fluorophenyl)-...)
Show SMILES CCN1C2=NC(C)(C)CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O |t:3|
Show InChI InChI=1S/C24H22F3N5O/c1-4-30-22(33)19-21(32-13-24(2,3)29-23(30)32)31(12-14-5-10-17(26)18(27)11-14)20(28-19)15-6-8-16(25)9-7-15/h5-11H,4,12-13H2,1-3H3
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n/an/a 121n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344911
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccnc(c3)C(F)(F)F)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H23F5N6O/c1-4-34-23(37)20-22(36-12-18(13(2)3)32-24(34)36)35(11-14-5-6-16(26)17(27)9-14)21(33-20)15-7-8-31-19(10-15)25(28,29)30/h5-10,13,18H,4,11-12H2,1-3H3/t18-/m0/s1
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n/an/a 132n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50344902
PNG
(1,2-dibenzyl-5-ethyl-2',3',5,8-tetrahydrospiro[imi...)
Show SMILES CCN1C2=NC3(CCc4ccccc34)CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O |t:3|
Show InChI InChI=1S/C31H29N5O/c1-2-34-29(37)27-28(36-21-31(33-30(34)36)18-17-24-15-9-10-16-25(24)31)35(20-23-13-7-4-8-14-23)26(32-27)19-22-11-5-3-6-12-22/h3-16H,2,17-21H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344940
PNG
((R)-1-benzyl-5-ethyl-2-(4-fluorophenyl)-7-isopropy...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccccc2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H26FN5O/c1-4-29-24(32)21-23(31-15-20(16(2)3)27-25(29)31)30(14-17-8-6-5-7-9-17)22(28-21)18-10-12-19(26)13-11-18/h5-13,16,20H,4,14-15H2,1-3H3/t20-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344924
PNG
(1'-(3,4-difluorobenzyl)-5'-ethyl-2'-(4-fluoropheny...)
Show SMILES CCN1C2=NC3(CCC3)CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O |t:3|
Show InChI InChI=1S/C25H22F3N5O/c1-2-31-23(34)20-22(33-14-25(10-3-11-25)30-24(31)33)32(13-15-4-9-18(27)19(28)12-15)21(29-20)16-5-7-17(26)8-6-16/h4-9,12H,2-3,10-11,13-14H2,1H3
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n/an/a 143n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344939
PNG
((R)-1-benzyl-2-(4-fluorophenyl)-7-isopropyl-5-prop...)
Show SMILES CCCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccccc2)C1=O)C(C)C |r,t:4|
Show InChI InChI=1S/C26H28FN5O/c1-4-14-30-25(33)22-24(32-16-21(17(2)3)28-26(30)32)31(15-18-8-6-5-7-9-18)23(29-22)19-10-12-20(27)13-11-19/h5-13,17,21H,4,14-16H2,1-3H3/t21-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344909
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)N3CCOCC3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C28H31F2N7O2/c1-4-35-27(38)24-26(37-16-22(17(2)3)32-28(35)37)36(15-18-5-7-20(29)21(30)13-18)25(33-24)19-6-8-23(31-14-19)34-9-11-39-12-10-34/h5-8,13-14,17,22H,4,9-12,15-16H2,1-3H3/t22-/m0/s1
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n/an/a 207n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM50344902
PNG
(1,2-dibenzyl-5-ethyl-2',3',5,8-tetrahydrospiro[imi...)
Show SMILES CCN1C2=NC3(CCc4ccccc34)CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O |t:3|
Show InChI InChI=1S/C31H29N5O/c1-2-34-29(37)27-28(36-21-31(33-30(34)36)18-17-24-15-9-10-16-25(24)31)35(20-23-13-7-4-8-14-23)26(32-27)19-22-11-5-3-6-12-22/h3-16H,2,17-21H2,1H3
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n/an/a 233n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344902
PNG
(1,2-dibenzyl-5-ethyl-2',3',5,8-tetrahydrospiro[imi...)
Show SMILES CCN1C2=NC3(CCc4ccccc34)CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O |t:3|
Show InChI InChI=1S/C31H29N5O/c1-2-34-29(37)27-28(36-21-31(33-30(34)36)18-17-24-15-9-10-16-25(24)31)35(20-23-13-7-4-8-14-23)26(32-27)19-22-11-5-3-6-12-22/h3-16H,2,17-21H2,1H3
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n/an/a 248n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344915
PNG
((R)-1-(3,4-difluorobenzyl)-5-ethyl-7-isopropyl-2-(...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(cc3)-c3cccs3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C29H27F2N5OS/c1-4-34-28(37)25-27(36-16-23(17(2)3)32-29(34)36)35(15-18-7-12-21(30)22(31)14-18)26(33-25)20-10-8-19(9-11-20)24-6-5-13-38-24/h5-14,17,23H,4,15-16H2,1-3H3/t23-/m0/s1
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n/an/a 252n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344921
PNG
((7R)-1-(3,4-difluorobenzyl)-5-ethyl-2-(2-fluorophe...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccccc3F)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C25H24F3N5O/c1-4-31-24(34)21-23(33-13-20(14(2)3)29-25(31)33)32(12-15-9-10-18(27)19(28)11-15)22(30-21)16-7-5-6-8-17(16)26/h5-11,14,20H,4,12-13H2,1-3H3/t20-/m0/s1
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n/an/a 439n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344938
PNG
((R)-1-benzyl-2-(4-fluorophenyl)-5,7-diisopropyl-7,...)
Show SMILES CC(C)[C@@H]1CN2C(=N1)N(C(C)C)C(=O)c1nc(-c3ccc(F)cc3)n(Cc3ccccc3)c21 |r,c:6|
Show InChI InChI=1S/C26H28FN5O/c1-16(2)21-15-31-24-22(25(33)32(17(3)4)26(31)28-21)29-23(19-10-12-20(27)13-11-19)30(24)14-18-8-6-5-7-9-18/h5-13,16-17,21H,14-15H2,1-4H3/t21-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344908
PNG
((R)-2-(6-aminopyridin-3-yl)-1-(3,4-difluorobenzyl)...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(N)nc3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C24H25F2N7O/c1-4-31-23(34)20-22(33-12-18(13(2)3)29-24(31)33)32(11-14-5-7-16(25)17(26)9-14)21(30-20)15-6-8-19(27)28-10-15/h5-10,13,18H,4,11-12H2,1-3H3,(H2,27,28)/t18-/m0/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344941
PNG
((R)-1-benzyl-2-(4-fluorophenyl)-7-isopropyl-7,8-di...)
Show SMILES CC(C)[C@@H]1CN2C(NC(=O)c3nc(-c4ccc(F)cc4)n(Cc4ccccc4)c23)=N1 |r,c:32|
Show InChI InChI=1S/C23H22FN5O/c1-14(2)18-13-29-22-19(21(30)27-23(29)25-18)26-20(16-8-10-17(24)11-9-16)28(22)12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,25,27,30)/t18-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344922
PNG
((RS)-1-(3,4-difluorobenzyl)-5-ethyl-2,7-bis(4-fluo...)
Show SMILES CCN1C2=NC(CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccc(F)c(F)c2)C1=O)c1ccc(F)cc1 |t:3|
Show InChI InChI=1S/C28H21F4N5O/c1-2-35-27(38)24-26(37-15-23(33-28(35)37)17-4-8-19(29)9-5-17)36(14-16-3-12-21(31)22(32)13-16)25(34-24)18-6-10-20(30)11-7-18/h3-13,23H,2,14-15H2,1H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50344902
PNG
(1,2-dibenzyl-5-ethyl-2',3',5,8-tetrahydrospiro[imi...)
Show SMILES CCN1C2=NC3(CCc4ccccc34)CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O |t:3|
Show InChI InChI=1S/C31H29N5O/c1-2-34-29(37)27-28(36-21-31(33-30(34)36)18-17-24-15-9-10-16-25(24)31)35(20-23-13-7-4-8-14-23)26(32-27)19-22-11-5-3-6-12-22/h3-16H,2,17-21H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by voltage-clamp electrophysiology


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344931
PNG
((R)-5-ethyl-2-(4-fluorophenyl)-7-isopropyl-1-(pyri...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccccn2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C24H25FN6O/c1-4-29-23(32)20-22(31-14-19(15(2)3)27-24(29)31)30(13-18-7-5-6-12-26-18)21(28-20)16-8-10-17(25)11-9-16/h5-12,15,19H,4,13-14H2,1-3H3/t19-/m0/s1
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n/an/a 3.21E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50344930
PNG
((R)-5-ethyl-2-(4-fluorophenyl)-7-isopropyl-1-(pyri...)
Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(F)cc3)n2Cc2ccncc2)C1=O)C(C)C |r,t:3|
Show InChI InChI=1S/C24H25FN6O/c1-4-29-23(32)20-22(31-14-19(15(2)3)27-24(29)31)30(13-16-9-11-26-12-10-16)21(28-20)17-5-7-18(25)8-6-17/h5-12,15,19H,4,13-14H2,1-3H3/t19-/m0/s1
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n/an/a 4.07E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by calcium flux assay


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50344902
PNG
(1,2-dibenzyl-5-ethyl-2',3',5,8-tetrahydrospiro[imi...)
Show SMILES CCN1C2=NC3(CCc4ccccc34)CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O |t:3|
Show InChI InChI=1S/C31H29N5O/c1-2-34-29(37)27-28(36-21-31(33-30(34)36)18-17-24-15-9-10-16-25(24)31)35(20-23-13-7-4-8-14-23)26(32-27)19-22-11-5-3-6-12-22/h3-16H,2,17-21H2,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 3805-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.034
BindingDB Entry DOI: 10.7270/Q25B02SR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%