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Compile Data Set for Download or QSAR

Found 1803 hits of ki data for polymerid = 49000976,49000978,49000979,49000981,49000983,49000985,50000466,50000724,50000725,50000731   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM160091
PNG
(US9040534, 32)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cscn1
Show InChI InChI=1/C17H13ClF3N5OS/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
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0.400n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM48901
PNG
(BDBM160086 | US9040534, 72)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(14-23-6-3-7-24-14)25-26-16(28)17(29)27(10)9-11-4-2-5-12(13(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
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0.400n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373326
PNG
(CHEMBL444278)
Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
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0.780n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells


J Med Chem 46: 4974-87 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373326
PNG
(CHEMBL444278)
Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
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0.780n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PurinergicP2X2/3


(HUMAN)
BDBM86478
PNG
(A-317491)
Show SMILES OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(=O)N(Cc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM160085
PNG
(US9040534, 26)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc(C)[nH]n1
Show InChI InChI=1/C18H16ClF3N6O/c1-9-6-13(24-23-9)15-25-26-16-17(29)27(10(2)7-28(15)16)8-11-4-3-5-12(14(11)19)18(20,21)22/h3-6,10H,7-8H2,1-2H3,(H,23,24)/t10-/s2
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM173376
PNG
(US9096596, 89)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1
Show InChI InChI=1/C19H17ClFN5O/c1-10-7-14-17(23-11(2)24-18(14)16-5-6-22-25-16)9-26(10)19(27)13-4-3-12(20)8-15(13)21/h3-6,8,10H,7,9H2,1-2H3,(H,22,25)/t10-/s2
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM160075
PNG
(US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
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1.10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM261048
PNG
(US9540323, 269 | US9540323, example 269)
Show SMILES CC1(C)CN(c2c1c(-c1cc(no1)C(F)(F)F)c(F)cc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C24H18ClF4N5O3S/c1-23(2)10-34(13-6-4-3-5-12(13)30-22(36)32-17-9-38-21(25)31-17)20-14(35)7-11(26)18(19(20)23)15-8-16(33-37-15)24(27,28)29/h3-9,35H,10H2,1-2H3,(H2,30,32,36)
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1.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM261048
PNG
(US9540323, 269 | US9540323, example 269)
Show SMILES CC1(C)CN(c2c1c(-c1cc(no1)C(F)(F)F)c(F)cc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C24H18ClF4N5O3S/c1-23(2)10-34(13-6-4-3-5-12(13)30-22(36)32-17-9-38-21(25)31-17)20-14(35)7-11(26)18(19(20)23)15-8-16(33-37-15)24(27,28)29/h3-9,35H,10H2,1-2H3,(H2,30,32,36)
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US9464084, 220)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1
Show InChI InChI=1/C18H13F5N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(19)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)20)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/s2
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245383
PNG
(US9428504, 133)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)-c2nc3cc(Cl)ccc3s2)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1
Show InChI InChI=1S/C38H36ClFN6O2S2/c1-37(2,3)20-45-16-14-38(15-17-45)21-46(33-29(47)12-10-24(32(33)38)34-41-27-18-22(39)8-13-30(27)49-34)28-7-5-4-6-25(28)42-35(48)44-36-43-26-11-9-23(40)19-31(26)50-36/h4-13,18-19,47H,14-17,20-21H2,1-3H3,(H2,42,43,44,48)
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM174777
PNG
(US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl
Show InChI InChI=1/C19H15ClF3N5OS/c20-15-11(4-2-5-12(15)19(21,22)23)18(29)28-10-3-1-6-14(28)17-26-25-16(27(17)7-10)13-8-30-9-24-13/h2,4-5,8-10,14H,1,3,6-7H2/t10-,14+/s2
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1.30n/a 2.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM174777
PNG
(US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl
Show InChI InChI=1/C19H15ClF3N5OS/c20-15-11(4-2-5-12(15)19(21,22)23)18(29)28-10-3-1-6-14(28)17-26-25-16(27(17)7-10)13-8-30-9-24-13/h2,4-5,8-10,14H,1,3,6-7H2/t10-,14+/s2
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1.30n/a 9.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM174777
PNG
(US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl
Show InChI InChI=1/C19H15ClF3N5OS/c20-15-11(4-2-5-12(15)19(21,22)23)18(29)28-10-3-1-6-14(28)17-26-25-16(27(17)7-10)13-8-30-9-24-13/h2,4-5,8-10,14H,1,3,6-7H2/t10-,14+/s2
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1.30n/a 16n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM174777
PNG
(US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl
Show InChI InChI=1/C19H15ClF3N5OS/c20-15-11(4-2-5-12(15)19(21,22)23)18(29)28-10-3-1-6-14(28)17-26-25-16(27(17)7-10)13-8-30-9-24-13/h2,4-5,8-10,14H,1,3,6-7H2/t10-,14+/s2
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human or rat P2X7-1321N1 cells were collected and frozen @-80.degree. C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160130
PNG
(US9040534, 71 | US9040534, 72)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C19H16ClF3N6O/c1-2-12-10-29-16(15-24-7-4-8-25-15)26-27-17(29)18(30)28(12)9-11-5-3-6-13(14(11)20)19(21,22)23/h3-8,12H,2,9-10H2,1H3/t12-/s2
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160072
PNG
(US9040534, 13)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl
Show InChI InChI=1/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3/t10-/s2
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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160080
PNG
(US9040534, 21)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cocn1
Show InChI InChI=1/C17H13ClF3N5O2/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
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1.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US9464084, 133)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C17H14ClF3N6O/c1-9-15-12(27(25-24-15)13-5-7-22-23-13)6-8-26(9)16(28)10-3-2-4-11(14(10)18)17(19,20)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)/t9-/s2
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160075
PNG
(US9040534, 16)
Show SMILES C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(13-7-23-5-6-24-13)25-26-16(28)17(29)27(10)9-11-3-2-4-12(14(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM160135
PNG
(US9040534, 76)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C20H16ClF4N5O/c1-2-13-10-30-17(15-7-6-12(22)8-26-15)27-28-18(30)19(31)29(13)9-11-4-3-5-14(16(11)21)20(23,24)25/h3-8,13H,2,9-10H2,1H3/t13-/s2
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


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More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM160134
PNG
(US9040534, 75)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C19H15ClF4N6O/c1-2-12-9-30-16(15-25-6-11(21)7-26-15)27-28-17(30)18(31)29(12)8-10-4-3-5-13(14(10)20)19(22,23)24/h3-7,12H,2,8-9H2,1H3/t12-/s2
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1.80n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM173371
PNG
(US9096596, 84)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1Cl)nc(C)nc2-c1ccn[nH]1
Show InChI InChI=1/C19H17Cl2N5O/c1-10-7-14-17(23-11(2)24-18(14)16-5-6-22-25-16)9-26(10)19(27)13-4-3-12(20)8-15(13)21/h3-6,8,10H,7,9H2,1-2H3,(H,22,25)/t10-/s2
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1.90n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245297
PNG
(US9428504, 35)
Show SMILES CC(C)c1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3F)n1
Show InChI InChI=1S/C29H37FN6O2S/c1-18(2)25-32-27(39-34-25)33-26(38)31-20-8-6-7-9-21(20)36-17-29(23-19(30)10-11-22(37)24(23)36)12-14-35(15-13-29)16-28(3,4)5/h6-11,18,37H,12-17H2,1-5H3,(H2,31,32,33,34,38)
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160094
PNG
(US9040534, 35)
Show SMILES C[C@H]1Cn2c(nnc2-c2cc(CO)ccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C20H17ClF3N5O2/c1-11-8-29-17(15-7-12(10-30)5-6-25-15)26-27-18(29)19(31)28(11)9-13-3-2-4-14(16(13)21)20(22,23)24/h2-7,11,30H,8-10H2,1H3/t11-/s2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM48901
PNG
(BDBM160086 | US9040534, 72)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(14-23-6-3-7-24-14)25-26-16(28)17(29)27(10)9-11-4-2-5-12(13(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM160077
PNG
(US9040534, 18)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C19H15ClF3N5O/c1-11-9-28-16(14-7-2-3-8-24-14)25-26-17(28)18(29)27(11)10-12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/s2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160091
PNG
(US9040534, 32)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cscn1
Show InChI InChI=1/C17H13ClF3N5OS/c1-9-5-26-14(12-7-28-8-22-12)23-24-15(26)16(27)25(9)6-10-3-2-4-11(13(10)18)17(19,20)21/h2-4,7-9H,5-6H2,1H3/t9-/s2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM160087
PNG
(US9040534, 28)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1/C17H14ClF3N6O/c1-9-7-27-14(12-5-6-22-23-12)24-25-15(27)16(28)26(9)8-10-3-2-4-11(13(10)18)17(19,20)21/h2-6,9H,7-8H2,1H3,(H,22,23)/t9-/s2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160096
PNG
(US9040534, 37)
Show SMILES C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)-c1cncs1
Show InChI InChI=1/C17H13ClF3N5OS/c1-9-6-26-14(12-5-22-8-28-12)23-24-15(26)16(27)25(9)7-10-3-2-4-11(13(10)18)17(19,20)21/h2-5,8-9H,6-7H2,1H3/t9-/s2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US9464084, 208)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1
Show InChI InChI=1/C19H16F4N6O/c1-10-6-16-15(26-27-29(16)18-24-7-12(20)8-25-18)9-28(10)17(30)13-4-3-5-14(11(13)2)19(21,22)23/h3-5,7-8,10H,6,9H2,1-2H3/t10-/s2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM203334
PNG
((6r,10s)-11-[(2,3-dichloro-4-fluorophenyl)carbonyl...)
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TBA



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More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM203334
PNG
((6r,10s)-11-[(2,3-dichloro-4-fluorophenyl)carbonyl...)
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TBA



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More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM203334
PNG
((6r,10s)-11-[(2,3-dichloro-4-fluorophenyl)carbonyl...)
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TBA



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More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254344
PNG
(US9464084, 249)
Show SMILES COCCn1ccc(n1)-n1nnc2[C@H](C)N(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C20H20ClF3N6O2/c1-12-18-15(30(27-25-18)16-7-8-28(26-16)10-11-32-2)6-9-29(12)19(31)13-4-3-5-14(17(13)21)20(22,23)24/h3-5,7-8,12H,6,9-11H2,1-2H3/t12-/s2
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2.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254203
PNG
(US9464084, 88)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N6O/c1-10-15-13(28(26-25-15)17-23-7-3-8-24-17)6-9-27(10)16(29)11-4-2-5-12(14(11)19)18(20,21)22/h2-5,7-8,10H,6,9H2,1H3/t10-/s2
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2.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
PurinergicP2X2/3


(HUMAN)
BDBM50118232
PNG
(2-MeSATP | ATP, 2-meS | CHEMBL336208)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US9464084, 281)
Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)nnn2-c1ncccn1
Show InChI InChI=1S/C18H15F3N6O/c1-11-12(4-2-5-13(11)18(19,20)21)16(28)26-9-6-15-14(10-26)24-25-27(15)17-22-7-3-8-23-17/h2-5,7-8H,6,9-10H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160093
PNG
(US9040534, 34)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C18H13ClF4N6O/c1-9-7-29-15(14-24-5-11(20)6-25-14)26-27-16(29)17(30)28(9)8-10-3-2-4-12(13(10)19)18(21,22)23/h2-6,9H,7-8H2,1H3/t9-/s2
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160089
PNG
(US9040534, 30)
Show SMILES C[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C19H14ClF4N5O/c1-10-8-29-16(14-6-5-12(21)7-25-14)26-27-17(29)18(30)28(10)9-11-3-2-4-13(15(11)20)19(22,23)24/h2-7,10H,8-9H2,1H3/t10-/s2
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160070
PNG
(US9040534, 11)
Show SMILES CC1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1cccc(Cl)c1Cl
Show InChI InChI=1/C17H14Cl2N6O/c1-10-8-25-15(13-7-20-5-6-21-13)22-23-16(25)17(26)24(10)9-11-3-2-4-12(18)14(11)19/h2-7,10H,8-9H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM48901
PNG
(BDBM160086 | US9040534, 72)
Show SMILES C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C18H14ClF3N6O/c1-10-8-28-15(14-23-6-3-7-24-14)25-26-16(28)17(29)27(10)9-11-4-2-5-12(13(11)19)18(20,21)22/h2-7,10H,8-9H2,1H3/t10-/s2
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254305
PNG
(US9464084, 202)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncc(F)cn1
Show InChI InChI=1/C18H13ClF4N6O/c1-9-5-14-13(26-27-29(14)17-24-6-10(20)7-25-17)8-28(9)16(30)11-3-2-4-12(15(11)19)18(21,22)23/h2-4,6-7,9H,5,8H2,1H3/t9-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM254234
PNG
(US9464084, 119)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ccccn1
Show InChI InChI=1/C19H15ClF3N5O/c1-11-9-15-14(25-26-28(15)16-7-2-3-8-24-16)10-27(11)18(29)12-5-4-6-13(17(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3/t11-/s2
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Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254319
PNG
(US9464084, 218)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1
Show InChI InChI=1/C17H12Cl2F2N6O/c1-8-4-13-12(24-25-27(13)17-22-5-9(20)6-23-17)7-26(8)16(28)10-2-3-11(18)15(21)14(10)19/h2-3,5-6,8H,4,7H2,1H3/t8-/s2
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


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More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254271
PNG
(US9464084, 166)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F
Show InChI InChI=1/C18H14Cl2FN5O/c1-10-8-15-14(23-24-26(15)17-13(21)6-3-7-22-17)9-25(10)18(27)11-4-2-5-12(19)16(11)20/h2-7,10H,8-9H2,1H3/t10-/s2
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US Patent
2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
human or rat P2X7-1321 N1 cells were collected and frozen @−80 C. On the day of the experiment, cell membrane preparations were made according...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50409757
PNG
(CHEMBL2112864)
Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells


J Med Chem 46: 4974-87 (2003)

More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160135
PNG
(US9040534, 76)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C20H16ClF4N5O/c1-2-13-10-30-17(15-7-6-12(22)8-26-15)27-28-18(30)19(31)29(13)9-11-4-3-5-14(16(11)21)20(23,24)25/h3-8,13H,2,9-10H2,1H3/t13-/s2
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM160130
PNG
(US9040534, 71 | US9040534, 72)
Show SMILES CC[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1/C19H16ClF3N6O/c1-2-12-10-29-16(15-24-7-4-8-25-15)26-27-17(29)18(30)28(12)9-11-5-3-6-13(14(11)20)19(21,22)23/h3-8,12H,2,9-10H2,1H3/t12-/s2
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ −80 C. On the day of the experiment, cell membrane preparation...


Citation and Details
More data for this
Ligand-Target Pair
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