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Compile Data Set for Download or QSAR

Found 10248 hits with Last Name = 'coate' and Initial = 'h'   
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


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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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...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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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...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254320
PNG
(US10112937, Example 220 | US10150765, Example 220 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254364
PNG
(US10112937, Example 271 | US10150765, Example 271 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1F)C(F)(F)F |r|
Show InChI InChI=1S/C18H14F4N6O/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-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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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...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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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...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254247
PNG
(US10112937, Example 133 | US10150765, Example 133 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1cc[nH]n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
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1.60n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355854
PNG
(CHEMBL1909727)
Show SMILES CCN(CC)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C17H27N5O2S2/c1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21)
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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM50561646
PNG
(CHEMBL4798102)
Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccn2ccnc12 |r|
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1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human OXIR


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355840
PNG
(CHEMBL1912082)
Show SMILES COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C21H26N4O3S2/c1-16-9-10-19(28-2)20(14-16)30(26,27)24-13-6-3-5-12-23-21-25-18(15-29-21)17-8-4-7-11-22-17/h4,7-11,14-15,24H,3,5-6,12-13H2,1-2H3,(H,23,25)
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1.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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2n/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...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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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...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM314681
PNG
((R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]o...)
Show SMILES CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:20:19:5.4:18,THB:6:5:19.2:18,1:2:5.4:18|
Show InChI InChI=1S/C23H22F3N5O2/c1-2-17-14-11-19(20(12-14)33-21-8-7-15(13-27-21)23(24,25)26)30(17)22(32)16-5-3-4-6-18(16)31-28-9-10-29-31/h3-10,13-14,17,19-20H,2,11-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM314652
PNG
((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Oc3cnc4ccccc4n3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C24H21FN6O2/c1-14-15-11-20(21(12-15)33-22-13-26-18-7-2-3-8-19(18)29-22)30(14)24(32)16-5-4-6-17(25)23(16)31-27-9-10-28-31/h2-10,13-15,20-21H,11-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM314653
PNG
((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...)
Show SMILES CC1C2CC(Oc3cnc4ccccc4c3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C25H24N6O2/c1-15-7-8-21(31-27-9-10-28-31)24(29-15)25(32)30-16(2)18-12-22(30)23(13-18)33-19-11-17-5-3-4-6-20(17)26-14-19/h3-11,14,16,18,22-23H,12-13H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM314618
PNG
(US9611262, Example 122 | US9611262, Example 196 | ...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14|
Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM314629
PNG
(US9611262, Example 163 | [(1R,2R,4S,5R)-2-deuterio...)
Show SMILES CC1C2CC(Oc3ccc(C)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14|
Show InChI InChI=1S/C22H23N5O2/c1-14-7-8-21(23-13-14)29-20-12-16-11-19(20)26(15(16)2)22(28)17-5-3-4-6-18(17)27-24-9-10-25-27/h3-10,13,15-16,19-20H,11-12H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254310
PNG
(US10112937, Example 208 | US10150765, Example 208 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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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...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50355849
PNG
(CHEMBL1909722)
Show SMILES CC(C)S(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccccc-23)s1
Show InChI InChI=1S/C19H27N3O2S3/c1-14(2)27(23,24)21-12-7-3-6-11-20-19-22-18-15-8-4-5-9-16(15)25-13-10-17(18)26-19/h4-5,8-9,14,21H,3,6-7,10-13H2,1-2H3,(H,20,22)
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2n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay


Bioorg Med Chem Lett 21: 6500-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.072
BindingDB Entry DOI: 10.7270/Q2V1257P
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254344
PNG
(US10112937, Example 249 | US10150765, Example 249 ...)
Show SMILES COCCn1ccc(n1)-n1nnc2[C@H](C)N(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254344
PNG
(US10112937, Example 249 | US10150765, Example 249 ...)
Show SMILES COCCn1ccc(n1)-n1nnc2[C@H](C)N(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m0/s1
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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...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254344
PNG
(US10112937, Example 249 | US10150765, Example 249 ...)
Show SMILES COCCn1ccc(n1)-n1nnc2[C@H](C)N(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m0/s1
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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...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254203
PNG
(US10112937, Example 88 | US10150765, Example 88 | ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m1/s1
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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...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254203
PNG
(US10112937, Example 88 | US10150765, Example 88 | ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m1/s1
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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...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254344
PNG
(US10112937, Example 249 | US10150765, Example 249 ...)
Show SMILES COCCn1ccc(n1)-n1nnc2[C@H](C)N(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254203
PNG
(US10112937, Example 88 | US10150765, Example 88 | ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254344
PNG
(US10112937, Example 249 | US10150765, Example 249 ...)
Show SMILES COCCn1ccc(n1)-n1nnc2[C@H](C)N(CCc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254203
PNG
(US10112937, Example 88 | US10150765, Example 88 | ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254203
PNG
(US10112937, Example 88 | US10150765, Example 88 | ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/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-/m1/s1
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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...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US10112937, Example 281 | US10703749, Example 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...


US Patent US10703749 (2020)


BindingDB Entry DOI: 10.7270/Q2JD50VT
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254371
PNG
(US10112937, Example 278 | US10150765, Example 281 ...)
Show SMILES CC1N(CCc2c1nnn2-c1cnccn1)C(=O)c1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6O/c1-11-13(4-3-5-14(11)19(20,21)22)18(29)27-9-6-15-17(12(27)2)25-26-28(15)16-10-23-7-8-24-16/h3-5,7-8,10,12H,6,9H2,1-2H3
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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...


US Patent US10150765 (2018)


BindingDB Entry DOI: 10.7270/Q23T9K8V
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US10112937, Example 281 | US10703749, Example 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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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...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US10112937, Example 281 | US10703749, Example 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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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254374
PNG
(US10112937, Example 281 | US10703749, Example 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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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254305
PNG
(US10112937, Example 202 | US10150765, Example 202 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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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...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254234
PNG
(US10112937, Example 119 | US10150765, Example 119 ...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ccccn1 |r|
Show InChI InChI=1S/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-/m1/s1
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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...


US Patent US9464084 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T3Z
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254271
PNG
(US10112937, Example 166 | US10150765, Example 166 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r|
Show InChI InChI=1S/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-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254234
PNG
(US10112937, Example 119 | US10150765, Example 119 ...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ccccn1 |r|
Show InChI InChI=1S/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-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254234
PNG
(US10112937, Example 119 | US10150765, Example 119 ...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ccccn1 |r|
Show InChI InChI=1S/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-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254305
PNG
(US10112937, Example 202 | US10150765, Example 202 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254305
PNG
(US10112937, Example 202 | US10150765, Example 202 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254271
PNG
(US10112937, Example 166 | US10150765, Example 166 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1cccc(Cl)c1Cl)nnn2-c1ncccc1F |r|
Show InChI InChI=1S/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-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM254291
PNG
(US10112937, Example 188 | US10150765, Example 188 ...)
Show SMILES C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1C)C(F)(F)F |r|
Show InChI InChI=1S/C19H17F3N6O/c1-11-13(5-3-6-14(11)19(20,21)22)17(29)27-10-7-15-16(12(27)2)25-26-28(15)18-23-8-4-9-24-18/h3-6,8-9,12H,7,10H2,1-2H3/t12-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM254319
PNG
(US10112937, Example 218 | US10150765, Example 218 ...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)c(F)c1Cl)nnn2-c1ncc(F)cn1 |r|
Show InChI InChI=1S/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-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10112937 (2018)


BindingDB Entry DOI: 10.7270/Q25H7J9N
More data for this
Ligand-Target Pair
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