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Compile Data Set for Download or QSAR

Found 7679 hits with Last Name = 'rudolph' and Initial = 'da'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371662
PNG
(CHEMBL269974)
Show SMILES Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H23N3/c1-16-7-9-18(10-8-16)22-19-11-13-23-14-12-20(19)24-21(25-22)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371682
PNG
(CHEMBL270188)
Show SMILES Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C21H20FN3/c22-17-8-6-16(7-9-17)21-18-10-12-23-13-11-19(18)24-20(25-21)14-15-4-2-1-3-5-15/h1-9,23H,10-14H2
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0.600n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371669
PNG
(CHEMBL402164)
Show SMILES Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H19F2N3/c22-16-5-1-14(2-6-16)13-20-25-19-10-12-24-11-9-18(19)21(26-20)15-3-7-17(23)8-4-15/h1-8,24H,9-13H2
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0.700n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371681
PNG
(CHEMBL271418)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H20F3N3/c23-22(24,25)17-8-6-16(7-9-17)21-18-10-12-26-13-11-19(18)27-20(28-21)14-15-4-2-1-3-5-15/h1-9,26H,10-14H2
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0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50548818
PNG
(CHEMBL4782005)
Show SMILES Fc1ccc(cc1)-c1c2CCNCCc2nn1C1CCC1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 receptor


Bioorg Med Chem Lett 21: 42-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.078
BindingDB Entry DOI: 10.7270/Q2M908Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371670
PNG
(CHEMBL272082)
Show SMILES Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H25N3/c1-14-6-8-15(9-7-14)19-17-10-12-21-13-11-18(17)22-20(23-19)16-4-2-3-5-16/h6-9,16,21H,2-5,10-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173376
PNG
(US10323032, Example 89 | US9096596, 89 | US9604982...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1 |r|
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9604982 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MTX
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173376
PNG
(US10323032, Example 89 | US9096596, 89 | US9604982...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1 |r|
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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...


US Patent US9096596 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50548831
PNG
(CHEMBL4752099)
Show SMILES COc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2B receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173376
PNG
(US10323032, Example 89 | US9096596, 89 | US9604982...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1 |r|
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1n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano



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...


Bioorg Med Chem 17: 5834-56 (2009)


BindingDB Entry DOI: 10.7270/Q21Z46SW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50548821
PNG
(CHEMBL4784845)
Show SMILES CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50548822
PNG
(CHEMBL4746737)
Show SMILES CC(C)n1nc2CCNCCc2c1-c1ccc(C)cc1
PDB
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50548821
PNG
(CHEMBL4784845)
Show SMILES CC(C)n1nc2CCNCCc2c1-c1ccc(Cl)cc1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2B receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173376
PNG
(US10323032, Example 89 | US9096596, 89 | US9604982...)
Show SMILES C[C@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1 |r|
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1.20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9604982 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MTX
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM174777
PNG
(US10053462, 8 | US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.15.14|
Show InChI InChI=1S/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+/m0/s1
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1.30n/a 2.5n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM174777
PNG
(US10053462, 8 | US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.15.14|
Show InChI InChI=1S/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+/m0/s1
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1.30n/a 9.70n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM174777
PNG
(US10053462, 8 | US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.15.14|
Show InChI InChI=1S/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+/m0/s1
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1.30n/a 16n/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 US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM174777
PNG
(US10053462, 8 | US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.15.14|
Show InChI InChI=1S/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+/m0/s1
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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° C. On the day of the experiment, cell membrane preparations were made according...


US Patent US10053462 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DSF
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM174777
PNG
(US10053462, 8 | US9102686, 8 | US9540388, 8)
Show SMILES FC(F)(F)c1cccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4cscn4)n2C3)c1Cl |r,THB:9:11:17.26.27:13.15.14|
Show InChI InChI=1S/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+/m0/s1
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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...


US Patent US9102686 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DXP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173371
PNG
(US10323032, Example 84 | US9096596, 84 | US9604982...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1Cl)nc(C)nc2-c1ccn[nH]1 |r|
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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...


US Patent US9096596 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JC6
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173371
PNG
(US10323032, Example 84 | US9096596, 84 | US9604982...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1Cl)nc(C)nc2-c1ccn[nH]1 |r|
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1.90n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9604982 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MTX
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173371
PNG
(US10323032, Example 84 | US9096596, 84 | US9604982...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1Cl)nc(C)nc2-c1ccn[nH]1 |r|
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1.90n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano



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...


Bioorg Med Chem 17: 5834-56 (2009)


BindingDB Entry DOI: 10.7270/Q21Z46SW
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173371
PNG
(US10323032, Example 84 | US9096596, 84 | US9604982...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1Cl)nc(C)nc2-c1ccn[nH]1 |r|
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1.90n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9604982 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50548822
PNG
(CHEMBL4746737)
Show SMILES CC(C)n1nc2CCNCCc2c1-c1ccc(C)cc1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2B receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50548819
PNG
(CHEMBL4791646)
Show SMILES CC(C)n1nc2CCNCCc2c1-c1ccc(cc1)C(F)(F)F
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM203334
PNG
((6r,10s)-11-[(2,3-dichloro-4-fluorophenyl)carbonyl...)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c(Cl)c1Cl |r,THB:5:7:13.23.24:9.10.11|
Show InChI InChI=1S/C20H16Cl2FN5O/c21-16-12(7-8-13(23)17(16)22)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1
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2.20n/a 20n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM203334
PNG
((6r,10s)-11-[(2,3-dichloro-4-fluorophenyl)carbonyl...)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c(Cl)c1Cl |r,THB:5:7:13.23.24:9.10.11|
Show InChI InChI=1S/C20H16Cl2FN5O/c21-16-12(7-8-13(23)17(16)22)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1
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2.20n/a 25n/an/an/an/a7.4n/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM203334
PNG
((6r,10s)-11-[(2,3-dichloro-4-fluorophenyl)carbonyl...)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c(Cl)c1Cl |r,THB:5:7:13.23.24:9.10.11|
Show InChI InChI=1S/C20H16Cl2FN5O/c21-16-12(7-8-13(23)17(16)22)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/m0/s1
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2.20n/a 462n/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 US9540388 (2017)


BindingDB Entry DOI: 10.7270/Q20V8B0D
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM203334
PNG
((6r,10s)-11-[(2,3-dichloro-4-fluorophenyl)carbonyl...)
Show SMILES Fc1ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c(Cl)c1Cl |r,THB:5:7:13.23.24:9.10.11|
Show InChI InChI=1S/C20H16Cl2FN5O/c21-16-12(7-8-13(23)17(16)22)20(29)28-11-4-3-6-15(28)19-26-25-18(27(19)10-11)14-5-1-2-9-24-14/h1-2,5,7-9,11,15H,3-4,6,10H2/t11-,15+/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 US10053462 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DSF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371661
PNG
(CHEMBL271212)
Show SMILES Fc1ccc(cc1)-c1nc(nc2CCNCc12)C1CCCC1
Show InChI InChI=1S/C18H20FN3/c19-14-7-5-12(6-8-14)17-15-11-20-10-9-16(15)21-18(22-17)13-3-1-2-4-13/h5-8,13,20H,1-4,9-11H2
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2.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371670
PNG
(CHEMBL272082)
Show SMILES Cc1ccc(cc1)-c1nc(nc2CCNCCc12)C1CCCC1
Show InChI InChI=1S/C20H25N3/c1-14-6-8-15(9-7-14)19-17-10-12-21-13-11-18(17)22-20(23-19)16-4-2-3-5-16/h6-9,16,21H,2-5,10-13H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50371662
PNG
(CHEMBL269974)
Show SMILES Cc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C22H23N3/c1-16-7-9-18(10-8-16)22-19-11-13-23-14-12-20(19)24-21(25-22)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 2103-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.090
BindingDB Entry DOI: 10.7270/Q2571CW5
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173337
PNG
(US10323032, Example 58 | US9096596, 58 | US9604982...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r|
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2.80n/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 US9096596 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JC6
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173337
PNG
(US10323032, Example 58 | US9096596, 58 | US9604982...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r|
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2.80n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9604982 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MTX
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173337
PNG
(US10323032, Example 58 | US9096596, 58 | US9604982...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r|
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2.80n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano



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...


Bioorg Med Chem 17: 5834-56 (2009)


BindingDB Entry DOI: 10.7270/Q21Z46SW
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173337
PNG
(US10323032, Example 58 | US9096596, 58 | US9604982...)
Show SMILES C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r|
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2.80n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9604982 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MTX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM118664
PNG
(US11059828, Example 317 | US11667644, Example 317 ...)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2M330QS
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM118664
PNG
(US11059828, Example 317 | US11667644, Example 317 ...)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...


US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50548824
PNG
(CHEMBL4788327)
Show SMILES C1CC(C1)n1nc2CCNCCc2c1-c1ccccc1
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2B receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50548817
PNG
(CHEMBL4789085)
Show SMILES CNc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
PDB
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50548831
PNG
(CHEMBL4752099)
Show SMILES COc1ccc(cc1)-c1c2CCNCCc2nn1C(C)C
PDB
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50548824
PNG
(CHEMBL4788327)
Show SMILES C1CC(C1)n1nc2CCNCCc2c1-c1ccccc1
PDB
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127669
BindingDB Entry DOI: 10.7270/Q2VX0M4X
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM118664
PNG
(US11059828, Example 317 | US11667644, Example 317 ...)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PK0K9R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM118664
PNG
(US11059828, Example 317 | US11667644, Example 317 ...)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T156TJ
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173415
PNG
(US10323032, Example 128 | US9096596, 128 | US96049...)
Show SMILES COCCn1ccc(n1)-c1nc(C)nc2CN([C@H](C)Cc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C23H23ClF3N5O2/c1-13-11-16-19(28-14(2)29-21(16)18-7-8-31(30-18)9-10-34-3)12-32(13)22(33)15-5-4-6-17(20(15)24)23(25,26)27/h4-8,13H,9-12H2,1-3H3/t13-/m1/s1
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3n/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 US9096596 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1JC6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM118664
PNG
(US11059828, Example 317 | US11667644, Example 317 ...)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3
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3 -48.6n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MN9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173415
PNG
(US10323032, Example 128 | US9096596, 128 | US96049...)
Show SMILES COCCn1ccc(n1)-c1nc(C)nc2CN([C@H](C)Cc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C23H23ClF3N5O2/c1-13-11-16-19(28-14(2)29-21(16)18-7-8-31(30-18)9-10-34-3)12-32(13)22(33)15-5-4-6-17(20(15)24)23(25,26)27/h4-8,13H,9-12H2,1-3H3/t13-/m1/s1
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9604982 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MTX
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173415
PNG
(US10323032, Example 128 | US9096596, 128 | US96049...)
Show SMILES COCCn1ccc(n1)-c1nc(C)nc2CN([C@H](C)Cc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C23H23ClF3N5O2/c1-13-11-16-19(28-14(2)29-21(16)18-7-8-31(30-18)9-10-34-3)12-32(13)22(33)15-5-4-6-17(20(15)24)23(25,26)27/h4-8,13H,9-12H2,1-3H3/t13-/m1/s1
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...


US Patent US9604982 (2017)


BindingDB Entry DOI: 10.7270/Q2B56MTX
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Rattus norvegicus (Rat))
BDBM173415
PNG
(US10323032, Example 128 | US9096596, 128 | US96049...)
Show SMILES COCCn1ccc(n1)-c1nc(C)nc2CN([C@H](C)Cc12)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C23H23ClF3N5O2/c1-13-11-16-19(28-14(2)29-21(16)18-7-8-31(30-18)9-10-34-3)12-32(13)22(33)15-5-4-6-17(20(15)24)23(25,26)27/h4-8,13H,9-12H2,1-3H3/t13-/m1/s1
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3n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano



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...


Bioorg Med Chem 17: 5834-56 (2009)


BindingDB Entry DOI: 10.7270/Q21Z46SW
More data for this
Ligand-Target Pair
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