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Patent code US9981909

Compile Data Set for Download or QSAR

Found 592 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396607
PNG
(3-[5-Bromo-2-(5-trifluoromethyl-furan-2-ylmethoxy)...)
Show SMILES FC(F)(F)c1ccc(COc2ccc(Br)cc2CC2CNC2)o1
Show InChI InChI=1S/C16H15BrF3NO2/c17-12-1-3-14(11(6-12)5-10-7-21-8-10)22-9-13-2-4-15(23-13)16(18,19)20/h1-4,6,10,21H,5,7-9H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50011237
PNG
(CHEMBL3260334 | US9981909, Example 2)
Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396409
PNG
(3-[2-(Azetidin-3-yloxy)-4-chloro-phenoxymethyl]-be...)
Show SMILES Clc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1
Show InChI InChI=1S/C17H15ClN2O2/c18-14-4-5-16(17(7-14)22-15-9-20-10-15)21-11-13-3-1-2-12(6-13)8-19/h1-7,15,20H,9-11H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396570
PNG
(3-(5-Bromo-2-phenethyloxy-phenoxy)-azetidine | US9...)
Show SMILES Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
Show InChI InChI=1S/C17H18BrNO2/c18-14-6-7-16(17(10-14)21-15-11-19-12-15)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396633
PNG
(3-[5-Chloro-2-(naphthalen-2-yloxy)-phenoxy]-azetid...)
Show SMILES Clc1ccc(Oc2ccc3ccccc3c2)c(OC2CNC2)c1
Show InChI InChI=1S/C19H16ClNO2/c20-15-6-8-18(19(10-15)23-17-11-21-12-17)22-16-7-5-13-3-1-2-4-14(13)9-16/h1-10,17,21H,11-12H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396384
PNG
(3-[2-(Azetidin-3-yloxy)-4-bromo-phenoxymethyl]-ben...)
Show SMILES Brc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1
Show InChI InChI=1S/C17H15BrN2O2/c18-14-4-5-16(17(7-14)22-15-9-20-10-15)21-11-13-3-1-2-12(6-13)8-19/h1-7,15,20H,9-11H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396454
PNG
(2-[2-(Azetidin-3-yloxy)-4-chloro-phenoxymethyl]-6-...)
Show SMILES FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)n1
Show InChI InChI=1S/C16H14ClF3N2O2/c17-10-4-5-13(14(6-10)24-12-7-21-8-12)23-9-11-2-1-3-15(22-11)16(18,19)20/h1-6,12,21H,7-9H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396607
PNG
(3-[5-Bromo-2-(5-trifluoromethyl-furan-2-ylmethoxy)...)
Show SMILES FC(F)(F)c1ccc(COc2ccc(Br)cc2CC2CNC2)o1
Show InChI InChI=1S/C16H15BrF3NO2/c17-12-1-3-14(11(6-12)5-10-7-21-8-10)22-9-13-2-4-15(23-13)16(18,19)20/h1-4,6,10,21H,5,7-9H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM396468
PNG
((R)-3-[4-Chloro-2-(3-chloro-benzyloxy)-phenoxy]-1-...)
Show SMILES CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO2/c1-21-8-7-16(11-21)23-17-6-5-15(20)10-18(17)22-12-13-3-2-4-14(19)9-13/h2-6,9-10,16H,7-8,11-12H2,1H3/t16-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396604
PNG
(3-[5-Bromo-2-(3-fluoro-benzyloxy)-phenoxy]-1-tert-...)
Show SMILES CC(C)(C)N1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
Show InChI InChI=1S/C20H23BrFNO2/c1-20(2,3)23-11-17(12-23)25-19-10-15(21)7-8-18(19)24-13-14-5-4-6-16(22)9-14/h4-10,17H,11-13H2,1-3H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396410
PNG
(3-[5-Chloro-2-(2-chloro-benzyloxy)-phenoxy]-azetid...)
Show SMILES Clc1ccc(OCc2ccccc2Cl)c(OC2CNC2)c1
Show InChI InChI=1S/C16H15Cl2NO2/c17-12-5-6-15(16(7-12)21-13-8-19-9-13)20-10-11-3-1-2-4-14(11)18/h1-7,13,19H,8-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM396570
PNG
(3-(5-Bromo-2-phenethyloxy-phenoxy)-azetidine | US9...)
Show SMILES Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
Show InChI InChI=1S/C17H18BrNO2/c18-14-6-7-16(17(10-14)21-15-11-19-12-15)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396383
PNG
(3-[5-Bromo-2-(3-trifluoromethyl-benzyloxy)-phenoxy...)
Show SMILES FC(F)(F)c1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Show InChI InChI=1S/C17H15BrF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396550
PNG
(3-[5-Chloro-2-(5-fluoro-indan-2-yloxy)-phenoxy]-az...)
Show SMILES Fc1ccc2CC(Cc2c1)Oc1ccc(Cl)cc1OC1CNC1
Show InChI InChI=1S/C18H17ClFNO2/c19-13-2-4-17(18(8-13)23-16-9-21-10-16)22-15-6-11-1-3-14(20)5-12(11)7-15/h1-5,8,15-16,21H,6-7,9-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396569
PNG
(3-[5-Chloro-2-[2-(4-methoxy-phenyl)-ethoxy]-phenox...)
Show SMILES COc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-15-5-2-13(3-6-15)8-9-22-17-7-4-14(19)10-18(17)23-16-11-20-12-16/h2-7,10,16,20H,8-9,11-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396394
PNG
(3-[5-Bromo-2-(3-fluoro-benzyloxy)-phenoxy]-1-propy...)
Show SMILES CCCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
Show InChI InChI=1S/C19H21BrFNO2/c1-2-8-22-11-17(12-22)24-19-10-15(20)6-7-18(19)23-13-14-4-3-5-16(21)9-14/h3-7,9-10,17H,2,8,11-13H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396414
PNG
(3-[5-Chloro-2-(3-trifluoromethyl-benzyloxy)-phenox...)
Show SMILES FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Show InChI InChI=1S/C17H15ClF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM396569
PNG
(3-[5-Chloro-2-[2-(4-methoxy-phenyl)-ethoxy]-phenox...)
Show SMILES COc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-15-5-2-13(3-6-15)8-9-22-17-7-4-14(19)10-18(17)23-16-11-20-12-16/h2-7,10,16,20H,8-9,11-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396388
PNG
(3-[5-Bromo-2-(3-chloro-4-methoxy-benzyloxy)-phenox...)
Show SMILES COc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
Show InChI InChI=1S/C17H17BrClNO3/c1-21-15-4-2-11(6-14(15)19)10-22-16-5-3-12(18)7-17(16)23-13-8-20-9-13/h2-7,13,20H,8-10H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396392
PNG
(3-[5-Bromo-2-(3-fluoro-benzyloxy)-phenoxy]-azetidi...)
Show SMILES Fc1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Show InChI InChI=1S/C16H15BrFNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM396535
PNG
(3-[5-Chloro-2-(6-trifluoromethyl-indan-1-yloxy)-ph...)
Show SMILES FC(F)(F)c1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Show InChI InChI=1S/C19H17ClF3NO2/c20-13-4-6-17(18(8-13)25-14-9-24-10-14)26-16-5-2-11-1-3-12(7-15(11)16)19(21,22)23/h1,3-4,6-8,14,16,24H,2,5,9-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396425
PNG
(3-[5-Chloro-2-(3,4-dichloro-benzyloxy)-phenoxy]-az...)
Show SMILES Clc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC2CNC2)c1
Show InChI InChI=1S/C16H14Cl3NO2/c17-11-2-4-15(16(6-11)22-12-7-20-8-12)21-9-10-1-3-13(18)14(19)5-10/h1-6,12,20H,7-9H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM396466
PNG
((R)-3-(2-Benzyloxy-4-chloro-phenoxy)-1-methyl-pyrr...)
Show SMILES CN1CC[C@H](C1)Oc1ccc(Cl)cc1OCc1ccccc1
Show InChI InChI=1S/C18H20ClNO2/c1-20-10-9-16(12-20)22-17-8-7-15(19)11-18(17)21-13-14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396476
PNG
((S)-3-[5-Chloro-2-[1-(3-trifluoromethyl-phenyl)-et...)
Show SMILES C[C@@H](Oc1ccc(Cl)cc1OC1CNC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17ClF3NO2/c1-11(12-3-2-4-13(7-12)18(20,21)22)24-16-6-5-14(19)8-17(16)25-15-9-23-10-15/h2-8,11,15,23H,9-10H2,1H3/t11-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50011239
PNG
(CHEMBL3260336 | US9981909, Example 184)
Show SMILES FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
Show InChI InChI=1S/C17H16ClF2NO2/c18-13-6-7-15(16(8-13)23-14-9-21-10-14)22-11-17(19,20)12-4-2-1-3-5-12/h1-8,14,21H,9-11H2
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5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396568
PNG
(3-[5-Chloro-2-[2-(4-fluoro-phenyl)-ethoxy]-phenoxy...)
Show SMILES Fc1ccc(CCOc2ccc(Cl)cc2OC2CNC2)cc1
Show InChI InChI=1S/C17H17ClFNO2/c18-13-3-6-16(17(9-13)22-15-10-20-11-15)21-8-7-12-1-4-14(19)5-2-12/h1-6,9,15,20H,7-8,10-11H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396474
PNG
((+-)-Methanesulfonic acid 3-[4-bromo-2-(1-methyl-p...)
Show SMILES CN1CCC(C1)Oc1cc(Br)ccc1OCc1cccc(OS(C)(=O)=O)c1
Show InChI InChI=1S/C19H22BrNO5S/c1-21-9-8-17(12-21)25-19-11-15(20)6-7-18(19)24-13-14-4-3-5-16(10-14)26-27(2,22)23/h3-7,10-11,17H,8-9,12-13H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396393
PNG
(3-[5-Bromo-2-(3-fluoro-benzyloxy)-phenoxy]-1-ethyl...)
Show SMILES CCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(F)c1
Show InChI InChI=1S/C18H19BrFNO2/c1-2-21-10-16(11-21)23-18-9-14(19)6-7-17(18)22-12-13-4-3-5-15(20)8-13/h3-9,16H,2,10-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396390
PNG
(3-[5-Bromo-2-(2-chloro-benzyloxy)-phenoxy]-azetidi...)
Show SMILES Clc1ccccc1COc1ccc(Br)cc1OC1CNC1
Show InChI InChI=1S/C16H15BrClNO2/c17-12-5-6-15(16(7-12)21-13-8-19-9-13)20-10-11-3-1-2-4-14(11)18/h1-7,13,19H,8-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396561
PNG
(3-[5-Chloro-2-(3-chloro-benzyloxy)-phenoxy]-azetid...)
Show SMILES Clc1ccc(OCCc2ccccc2)c(OC2CNC2)c1
Show InChI InChI=1S/C17H18ClNO2/c18-14-6-7-16(17(10-14)21-15-11-19-12-15)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396484
PNG
((+-)-3-[5-Chloro-2-[1-(3-trifluoromethyl-phenyl)-e...)
Show SMILES CC(Oc1ccc(Cl)cc1OC1CN(C)C1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3NO2/c1-12(13-4-3-5-14(8-13)19(21,22)23)25-17-7-6-15(20)9-18(17)26-16-10-24(2)11-16/h3-9,12,16H,10-11H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396560
PNG
(3-[5-Chloro-2-[2-(3-chloro-phenyl)-ethoxy]-phenoxy...)
Show SMILES Clc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Show InChI InChI=1S/C17H17Cl2NO2/c18-13-3-1-2-12(8-13)6-7-21-16-5-4-14(19)9-17(16)22-15-10-20-11-15/h1-5,8-9,15,20H,6-7,10-11H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM396590
PNG
(3-(5-Bromo-2-phenethyloxy-phenoxy)-3-methyl-azetid...)
Show SMILES CC1(CNC1)Oc1cc(Br)ccc1OCCc1ccccc1
Show InChI InChI=1S/C18H20BrNO2/c1-18(12-20-13-18)22-17-11-15(19)7-8-16(17)21-10-9-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396605
PNG
(1-tert-Butyl-3-[5-chloro-2-(3-trifluoromethyl-benz...)
Show SMILES CC(C)(C)N1CC(C1)Oc1cc(Cl)ccc1OCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H23ClF3NO2/c1-20(2,3)26-11-17(12-26)28-19-10-16(22)7-8-18(19)27-13-14-5-4-6-15(9-14)21(23,24)25/h4-10,17H,11-13H2,1-3H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396381
PNG
(3-[5-Bromo-2-(3-chloro-benzyloxy)-phenoxy]-1-ethyl...)
Show SMILES CCN1CC(C1)Oc1cc(Br)ccc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C18H19BrClNO2/c1-2-21-10-16(11-21)23-18-9-14(19)6-7-17(18)22-12-13-4-3-5-15(20)8-13/h3-9,16H,2,10-12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396383
PNG
(3-[5-Bromo-2-(3-trifluoromethyl-benzyloxy)-phenoxy...)
Show SMILES FC(F)(F)c1cccc(COc2ccc(Br)cc2OC2CNC2)c1
Show InChI InChI=1S/C17H15BrF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396549
PNG
(3-[5-Bromo-2-(indan-2-yloxy)-phenoxy]-azetidine | ...)
Show SMILES Brc1ccc(OC2Cc3ccccc3C2)c(OC2CNC2)c1
Show InChI InChI=1S/C18H18BrNO2/c19-14-5-6-17(18(9-14)22-16-10-20-11-16)21-15-7-12-3-1-2-4-13(12)8-15/h1-6,9,15-16,20H,7-8,10-11H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396413
PNG
(3-[5-Chloro-2-(3-chloro-benzyloxy)-phenoxy]-1-meth...)
Show SMILES CN1CC(C1)Oc1cc(Cl)ccc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO2/c1-20-9-15(10-20)22-17-8-14(19)5-6-16(17)21-11-12-3-2-4-13(18)7-12/h2-8,15H,9-11H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396429
PNG
(3-[5-Chloro-2-(5-trifluoromethyl-furan-2-ylmethoxy...)
Show SMILES FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CNC2)o1
Show InChI InChI=1S/C15H13ClF3NO3/c16-9-1-3-12(13(5-9)22-11-6-20-7-11)21-8-10-2-4-14(23-10)15(17,18)19/h1-5,11,20H,6-8H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM396534
PNG
((+-)-3-[5-Chloro-2-(6-chloro-indan-1-yloxy)-phenox...)
Show SMILES Clc1ccc2CCC(Oc3ccc(Cl)cc3OC3CNC3)c2c1
Show InChI InChI=1S/C18H17Cl2NO2/c19-12-3-1-11-2-5-16(15(11)7-12)23-17-6-4-13(20)8-18(17)22-14-9-21-10-14/h1,3-4,6-8,14,16,21H,2,5,9-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396388
PNG
(3-[5-Bromo-2-(3-chloro-4-methoxy-benzyloxy)-phenox...)
Show SMILES COc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
Show InChI InChI=1S/C17H17BrClNO3/c1-21-15-4-2-11(6-14(15)19)10-22-16-5-3-12(18)7-17(16)23-13-8-20-9-13/h2-7,13,20H,8-10H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396387
PNG
(3-[5-Bromo-2-(3-chloro-4-fluoro-benzyloxy)-phenoxy...)
Show SMILES Fc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
Show InChI InChI=1S/C16H14BrClFNO2/c17-11-2-4-15(16(6-11)22-12-7-20-8-12)21-9-10-1-3-14(19)13(18)5-10/h1-6,12,20H,7-9H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396412
PNG
(3-[5-Chloro-2-(3-chloro-benzyloxy)-phenoxy]-azetid...)
Show SMILES Clc1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Show InChI InChI=1S/C16H15Cl2NO2/c17-12-3-1-2-11(6-12)10-20-15-5-4-13(18)7-16(15)21-14-8-19-9-14/h1-7,14,19H,8-10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396438
PNG
(4-[5-Chloro-2-(5-trifluoromethyl-furan-2-ylmethoxy...)
Show SMILES FC(F)(F)c1ccc(COc2ccc(Cl)cc2OC2CCNCC2)o1
Show InChI InChI=1S/C17H17ClF3NO3/c18-11-1-3-14(15(9-11)24-12-5-7-22-8-6-12)23-10-13-2-4-16(25-13)17(19,20)21/h1-4,9,12,22H,5-8,10H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM396566
PNG
(3-[5-Chloro-2-[2-(3-fluoro-phenyl)-ethoxy]-phenoxy...)
Show SMILES Fc1cccc(CCOc2ccc(Cl)cc2OC2CNC2)c1
Show InChI InChI=1S/C17H17ClFNO2/c18-13-4-5-16(17(9-13)22-15-10-20-11-15)21-7-6-12-2-1-3-14(19)8-12/h1-5,8-9,15,20H,6-7,10-11H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396625
PNG
(3-[5-Bromo-2-(3-chloro-phenoxy)-phenoxy]-azetidine...)
Show SMILES Clc1cccc(Oc2ccc(Br)cc2OC2CNC2)c1
Show InChI InChI=1S/C15H13BrClNO2/c16-10-4-5-14(15(6-10)20-13-8-18-9-13)19-12-3-1-2-11(17)7-12/h1-7,13,18H,8-9H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396385
PNG
(3-[5-Bromo-2-(5-trifluoromethyl-furan-2-ylmethoxy)...)
Show SMILES FC(F)(F)c1ccc(COc2ccc(Br)cc2OC2CNC2)o1
Show InChI InChI=1S/C15H13BrF3NO3/c16-9-1-3-12(13(5-9)22-11-6-20-7-11)21-8-10-2-4-14(23-10)15(17,18)19/h1-5,11,20H,6-8H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396548
PNG
(3-[5-Chloro-2-(indan-2-yloxy)-phenoxy]-azetidine |...)
Show SMILES Clc1ccc(OC2Cc3ccccc3C2)c(OC2CNC2)c1
Show InChI InChI=1S/C18H18ClNO2/c19-14-5-6-17(18(9-14)22-16-10-20-11-16)21-15-7-12-3-1-2-4-13(12)8-15/h1-6,9,15-16,20H,7-8,10-11H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396414
PNG
(3-[5-Chloro-2-(3-trifluoromethyl-benzyloxy)-phenox...)
Show SMILES FC(F)(F)c1cccc(COc2ccc(Cl)cc2OC2CNC2)c1
Show InChI InChI=1S/C17H15ClF3NO2/c18-13-4-5-15(16(7-13)24-14-8-22-9-14)23-10-11-2-1-3-12(6-11)17(19,20)21/h1-7,14,22H,8-10H2
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US Patent
7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM396546
PNG
(3-[5-Chloro-2-(2-phenoxy-ethoxy)-phenoxy]-azetidin...)
Show SMILES Clc1ccc(OCCOc2ccccc2)c(OC2CNC2)c1
Show InChI InChI=1S/C17H18ClNO3/c18-13-6-7-16(17(10-13)22-15-11-19-12-15)21-9-8-20-14-4-2-1-3-5-14/h1-7,10,15,19H,8-9,11-12H2
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PC cid
PC sid
UniChem
US Patent
7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


US Patent US9981909 (2018)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%