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PubMed code 17583504

Compile data set for download or QSAR
Found 51 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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216250
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2OS/c1-2-10-25(11-3-1)12-5-14-27-20-7-8-21-22(16-20)24-6-4-13-26(24)17-23(21)19-9-15-28-18-19/h7-9,15-16,18,23-24H,1-6,10-14,17H2/t23-,24+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216250
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2OS/c1-2-10-25(11-3-1)12-5-14-27-20-7-8-21-22(16-20)24-6-4-13-26(24)17-23(21)19-9-15-28-18-19/h7-9,15-16,18,23-24H,1-6,10-14,17H2/t23-,24+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216249
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-4-13-27(14-5-1)15-7-17-29-20-10-11-21-22(18-20)25-9-6-16-28(25)19-23(21)24-8-2-3-12-26-24/h2-3,8,10-12,18,23,25H,1,4-7,9,13-17,19H2/t23-,25-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216245
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18,24-25H,1-3,5-6,8,12-16,19H2/t24-,25+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216252
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2OS/c1-2-11-25(12-3-1)13-6-15-27-19-9-10-20-21(17-19)23-7-4-14-26(23)18-22(20)24-8-5-16-28-24/h5,8-10,16-17,22-23H,1-4,6-7,11-15,18H2/t22-,23-/m1/s1
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216251
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccncc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-13-27(14-3-1)15-5-17-29-21-7-8-22-23(18-21)25-6-4-16-28(25)19-24(22)20-9-11-26-12-10-20/h7-12,18,24-25H,1-6,13-17,19H2/t24-,25+/m0/s1
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216252
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2OS/c1-2-11-25(12-3-1)13-6-15-27-19-9-10-20-21(17-19)23-7-4-14-26(23)18-22(20)24-8-5-16-28-24/h5,8-10,16-17,22-23H,1-4,6-7,11-15,18H2/t22-,23-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216250
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2OS/c1-2-10-25(11-3-1)12-5-14-27-20-7-8-21-22(16-20)24-6-4-13-26(24)17-23(21)19-9-15-28-18-19/h7-9,15-16,18,23-24H,1-6,10-14,17H2/t23-,24+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216248
PNG
((6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1
Show InChI InChI=1S/C24H31N3O2/c1-4-19(17-25-8-1)23-18-27-10-2-5-24(27)22-16-20(6-7-21(22)23)29-13-3-9-26-11-14-28-15-12-26/h1,4,6-8,16-17,23-24H,2-3,5,9-15,18H2/t23-,24+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216242
PNG
((6R,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-3-yl...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1
Show InChI InChI=1S/C23H30N2O2S/c1-3-23-21-15-19(27-11-2-7-24-9-12-26-13-10-24)4-5-20(21)22(16-25(23)8-1)18-6-14-28-17-18/h4-6,14-15,17,22-23H,1-3,7-13,16H2/t22-,23+/m0/s1
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216256
PNG
((6S,10bR)-6-(H-imidazo[1,2-a]pyridin-3-yl)-9-(3-mo...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnc2ccccn12)CN1CCOCC1
Show InChI InChI=1S/C26H32N4O2/c1-2-11-30-25(18-27-26(30)6-1)23-19-29-10-3-5-24(29)22-17-20(7-8-21(22)23)32-14-4-9-28-12-15-31-16-13-28/h1-2,6-8,11,17-18,23-24H,3-5,9-10,12-16,19H2/t23-,24-/m1/s1
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216245
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18,24-25H,1-3,5-6,8,12-16,19H2/t24-,25+/m0/s1
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216252
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2OS/c1-2-11-25(12-3-1)13-6-15-27-19-9-10-20-21(17-19)23-7-4-14-26(23)18-22(20)24-8-5-16-28-24/h5,8-10,16-17,22-23H,1-4,6-7,11-15,18H2/t22-,23-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216255
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCOCC1
Show InChI InChI=1S/C24H31N3O2/c1-2-9-25-23(5-1)22-18-27-11-3-6-24(27)21-17-19(7-8-20(21)22)29-14-4-10-26-12-15-28-16-13-26/h1-2,5,7-9,17,22,24H,3-4,6,10-16,18H2/t22-,24-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216247
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-2-yl...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCOCC1
Show InChI InChI=1S/C23H30N2O2S/c1-4-22-20-16-18(27-12-3-8-24-10-13-26-14-11-24)6-7-19(20)21(17-25(22)9-1)23-5-2-15-28-23/h2,5-7,15-16,21-22H,1,3-4,8-14,17H2/t21-,22-/m1/s1
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216242
PNG
((6R,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-3-yl...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1
Show InChI InChI=1S/C23H30N2O2S/c1-3-23-21-15-19(27-11-2-7-24-9-12-26-13-10-24)4-5-20(21)22(16-25(23)8-1)18-6-14-28-17-18/h4-6,14-15,17,22-23H,1-3,7-13,16H2/t22-,23+/m0/s1
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216247
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-2-yl...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCOCC1
Show InChI InChI=1S/C23H30N2O2S/c1-4-22-20-16-18(27-12-3-8-24-10-13-26-14-11-24)6-7-19(20)21(17-25(22)9-1)23-5-2-15-28-23/h2,5-7,15-16,21-22H,1,3-4,8-14,17H2/t21-,22-/m1/s1
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216253
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1nccs1)CN1CCOCC1
Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-15-17(27-11-2-7-24-9-12-26-13-10-24)4-5-18(19)20(16-25(21)8-1)22-23-6-14-28-22/h4-6,14-15,20-21H,1-3,7-13,16H2/t20-,21-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216249
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-4-13-27(14-5-1)15-7-17-29-20-10-11-21-22(18-20)25-9-6-16-28(25)19-23(21)24-8-2-3-12-26-24/h2-3,8,10-12,18,23,25H,1,4-7,9,13-17,19H2/t23-,25-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216244
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-5-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cncs1)CN1CCOCC1
Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-13-17(27-10-2-6-24-8-11-26-12-9-24)4-5-18(19)20(15-25(21)7-1)22-14-23-16-28-22/h4-5,13-14,16,20-21H,1-3,6-12,15H2/t20-,21-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216246
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(1H-pyrazol-5-...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccn[nH]1)CN1CCOCC1
Show InChI InChI=1S/C22H30N4O2/c1-3-22-19-15-17(28-12-2-8-25-10-13-27-14-11-25)4-5-18(19)20(16-26(22)9-1)21-6-7-23-24-21/h4-7,15,20,22H,1-3,8-14,16H2,(H,23,24)/t20-,22-/m1/s1
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216243
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(pyrazin-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnccn1)CN1CCOCC1
Show InChI InChI=1S/C23H30N4O2/c1-3-23-20-15-18(29-12-2-8-26-10-13-28-14-11-26)4-5-19(20)21(17-27(23)9-1)22-16-24-6-7-25-22/h4-7,15-16,21,23H,1-3,8-14,17H2/t21-,23-/m1/s1
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216248
PNG
((6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1
Show InChI InChI=1S/C24H31N3O2/c1-4-19(17-25-8-1)23-18-27-10-2-5-24(27)22-16-20(6-7-21(22)23)29-13-3-9-26-11-14-28-15-12-26/h1,4,6-8,16-17,23-24H,2-3,5,9-15,18H2/t23-,24+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216242
PNG
((6R,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-3-yl...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1
Show InChI InChI=1S/C23H30N2O2S/c1-3-23-21-15-19(27-11-2-7-24-9-12-26-13-10-24)4-5-20(21)22(16-25(23)8-1)18-6-14-28-17-18/h4-6,14-15,17,22-23H,1-3,7-13,16H2/t22-,23+/m0/s1
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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216254
PNG
((6S,10bR)-6-(4-(1H-pyrazol-1-yl)phenyl)-9-(3-morph...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1cccn1)CN1CCOCC1
Show InChI InChI=1S/C28H34N4O2/c1-4-28-26-20-24(34-17-3-12-30-15-18-33-19-16-30)9-10-25(26)27(21-31(28)13-1)22-5-7-23(8-6-22)32-14-2-11-29-32/h2,5-11,14,20,27-28H,1,3-4,12-13,15-19,21H2/t27-,28+/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50216241
PNG
((6S,10bR)-6-(4-(1H-imidazol-1-yl)phenyl)-9-(3-morp...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1ccnc1)CN1CCOCC1
Show InChI InChI=1S/C28H34N4O2/c1-3-28-26-19-24(34-16-2-11-30-14-17-33-18-15-30)8-9-25(26)27(20-31(28)12-1)22-4-6-23(7-5-22)32-13-10-29-21-32/h4-10,13,19,21,27-28H,1-3,11-12,14-18,20H2/t27-,28+/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216247
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-2-yl...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCOCC1
Show InChI InChI=1S/C23H30N2O2S/c1-4-22-20-16-18(27-12-3-8-24-10-13-26-14-11-24)6-7-19(20)21(17-25(22)9-1)23-5-2-15-28-23/h2,5-7,15-16,21-22H,1,3-4,8-14,17H2/t21-,22-/m1/s1
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6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216254
PNG
((6S,10bR)-6-(4-(1H-pyrazol-1-yl)phenyl)-9-(3-morph...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1cccn1)CN1CCOCC1
Show InChI InChI=1S/C28H34N4O2/c1-4-28-26-20-24(34-17-3-12-30-15-18-33-19-16-30)9-10-25(26)27(21-31(28)13-1)22-5-7-23(8-6-22)32-14-2-11-29-32/h2,5-11,14,20,27-28H,1,3-4,12-13,15-19,21H2/t27-,28+/m0/s1
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6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216244
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-5-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cncs1)CN1CCOCC1
Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-13-17(27-10-2-6-24-8-11-26-12-9-24)4-5-18(19)20(15-25(21)7-1)22-14-23-16-28-22/h4-5,13-14,16,20-21H,1-3,6-12,15H2/t20-,21-/m1/s1
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6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216241
PNG
((6S,10bR)-6-(4-(1H-imidazol-1-yl)phenyl)-9-(3-morp...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1ccnc1)CN1CCOCC1
Show InChI InChI=1S/C28H34N4O2/c1-3-28-26-19-24(34-16-2-11-30-14-17-33-18-15-30)8-9-25(26)27(20-31(28)12-1)22-4-6-23(7-5-22)32-13-10-29-21-32/h4-10,13,19,21,27-28H,1-3,11-12,14-18,20H2/t27-,28+/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216255
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCOCC1
Show InChI InChI=1S/C24H31N3O2/c1-2-9-25-23(5-1)22-18-27-11-3-6-24(27)21-17-19(7-8-20(21)22)29-14-4-10-26-12-15-28-16-13-26/h1-2,5,7-9,17,22,24H,3-4,6,10-16,18H2/t22-,24-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216245
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18,24-25H,1-3,5-6,8,12-16,19H2/t24-,25+/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216248
PNG
((6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1
Show InChI InChI=1S/C24H31N3O2/c1-4-19(17-25-8-1)23-18-27-10-2-5-24(27)22-16-20(6-7-21(22)23)29-13-3-9-26-11-14-28-15-12-26/h1,4,6-8,16-17,23-24H,2-3,5,9-15,18H2/t23-,24+/m0/s1
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12.3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216254
PNG
((6S,10bR)-6-(4-(1H-pyrazol-1-yl)phenyl)-9-(3-morph...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1cccn1)CN1CCOCC1
Show InChI InChI=1S/C28H34N4O2/c1-4-28-26-20-24(34-17-3-12-30-15-18-33-19-16-30)9-10-25(26)27(21-31(28)13-1)22-5-7-23(8-6-22)32-14-2-11-29-32/h2,5-11,14,20,27-28H,1,3-4,12-13,15-19,21H2/t27-,28+/m0/s1
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12.3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216241
PNG
((6S,10bR)-6-(4-(1H-imidazol-1-yl)phenyl)-9-(3-morp...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccc(cc1)-n1ccnc1)CN1CCOCC1
Show InChI InChI=1S/C28H34N4O2/c1-3-28-26-19-24(34-16-2-11-30-14-17-33-18-15-30)8-9-25(26)27(20-31(28)12-1)22-4-6-23(7-5-22)32-13-10-29-21-32/h4-10,13,19,21,27-28H,1-3,11-12,14-18,20H2/t27-,28+/m0/s1
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16.7n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216249
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-4-13-27(14-5-1)15-7-17-29-20-10-11-21-22(18-20)25-9-6-16-28(25)19-23(21)24-8-2-3-12-26-24/h2-3,8,10-12,18,23,25H,1,4-7,9,13-17,19H2/t23-,25-/m1/s1
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18.7n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216244
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-5-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cncs1)CN1CCOCC1
Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-13-17(27-10-2-6-24-8-11-26-12-9-24)4-5-18(19)20(15-25(21)7-1)22-14-23-16-28-22/h4-5,13-14,16,20-21H,1-3,6-12,15H2/t20-,21-/m1/s1
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19.7n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216251
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccncc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-13-27(14-3-1)15-5-17-29-21-7-8-22-23(18-21)25-6-4-16-28(25)19-24(22)20-9-11-26-12-10-20/h7-12,18,24-25H,1-6,13-17,19H2/t24-,25+/m0/s1
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20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216243
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(pyrazin-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnccn1)CN1CCOCC1
Show InChI InChI=1S/C23H30N4O2/c1-3-23-20-15-18(29-12-2-8-26-10-13-28-14-11-26)4-5-19(20)21(17-27(23)9-1)22-16-24-6-7-25-22/h4-7,15-16,21,23H,1-3,8-14,17H2/t21-,23-/m1/s1
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22.7n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216246
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(1H-pyrazol-5-...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccn[nH]1)CN1CCOCC1
Show InChI InChI=1S/C22H30N4O2/c1-3-22-19-15-17(28-12-2-8-25-10-13-27-14-11-25)4-5-18(19)20(16-26(22)9-1)21-6-7-23-24-21/h4-7,15,20,22H,1-3,8-14,16H2,(H,23,24)/t20-,22-/m1/s1
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24.3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216255
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCOCC1
Show InChI InChI=1S/C24H31N3O2/c1-2-9-25-23(5-1)22-18-27-11-3-6-24(27)21-17-19(7-8-20(21)22)29-14-4-10-26-12-15-28-16-13-26/h1-2,5,7-9,17,22,24H,3-4,6,10-16,18H2/t22-,24-/m1/s1
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31.3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216256
PNG
((6S,10bR)-6-(H-imidazo[1,2-a]pyridin-3-yl)-9-(3-mo...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnc2ccccn12)CN1CCOCC1
Show InChI InChI=1S/C26H32N4O2/c1-2-11-30-25(18-27-26(30)6-1)23-19-29-10-3-5-24(29)22-17-20(7-8-21(22)23)32-14-4-9-28-12-15-31-16-13-28/h1-2,6-8,11,17-18,23-24H,3-5,9-10,12-16,19H2/t23-,24-/m1/s1
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39n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50216253
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1nccs1)CN1CCOCC1
Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-15-17(27-11-2-7-24-9-12-26-13-10-24)4-5-18(19)20(16-25(21)8-1)22-23-6-14-28-22/h4-6,14-15,20-21H,1-3,7-13,16H2/t20-,21-/m1/s1
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53.3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216251
PNG
((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccncc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-13-27(14-3-1)15-5-17-29-21-7-8-22-23(18-21)25-6-4-16-28(25)19-24(22)20-9-11-26-12-10-20/h7-12,18,24-25H,1-6,13-17,19H2/t24-,25+/m0/s1
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66n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50216245
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18,24-25H,1-3,5-6,8,12-16,19H2/t24-,25+/m0/s1
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74n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216243
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(pyrazin-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnccn1)CN1CCOCC1
Show InChI InChI=1S/C23H30N4O2/c1-3-23-20-15-18(29-12-2-8-26-10-13-28-14-11-26)4-5-19(20)21(17-27(23)9-1)22-16-24-6-7-25-22/h4-7,15-16,21,23H,1-3,8-14,17H2/t21-,23-/m1/s1
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88n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50216245
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18,24-25H,1-3,5-6,8,12-16,19H2/t24-,25+/m0/s1
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107n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to DAT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216256
PNG
((6S,10bR)-6-(H-imidazo[1,2-a]pyridin-3-yl)-9-(3-mo...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnc2ccccn12)CN1CCOCC1
Show InChI InChI=1S/C26H32N4O2/c1-2-11-30-25(18-27-26(30)6-1)23-19-29-10-3-5-24(29)22-17-20(7-8-21(22)23)32-14-4-9-28-12-15-31-16-13-28/h1-2,6-8,11,17-18,23-24H,3-5,9-10,12-16,19H2/t23-,24-/m1/s1
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119n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216246
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(1H-pyrazol-5-...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccn[nH]1)CN1CCOCC1
Show InChI InChI=1S/C22H30N4O2/c1-3-22-19-15-17(28-12-2-8-25-10-13-27-14-11-25)4-5-18(19)20(16-26(22)9-1)21-6-7-23-24-21/h4-7,15,20,22H,1-3,8-14,16H2,(H,23,24)/t20-,22-/m1/s1
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121n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50216253
PNG
((6S,10bR)-9-(3-morpholinopropoxy)-6-(thiazol-2-yl)...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1nccs1)CN1CCOCC1
Show InChI InChI=1S/C22H29N3O2S/c1-3-21-19-15-17(27-11-2-7-24-9-12-26-13-10-24)4-5-18(19)20(16-25(21)8-1)22-23-6-14-28-22/h4-6,14-15,20-21H,1-3,7-13,16H2/t20-,21-/m1/s1
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291n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50216245
PNG
((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...)
Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1
Show InChI InChI=1S/C25H33N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18,24-25H,1-3,5-6,8,12-16,19H2/t24-,25+/m0/s1
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460n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to NET


Bioorg Med Chem Lett 17: 4374-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.043
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%