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11 similar compounds to monomer 50199602

Compile data set for download or QSAR
Wt: 366.4
BDBM50198586
Wt: 396.5
BDBM50198588
Wt: 394.5
BDBM50198590
Wt: 419.5
BDBM50198595
Wt: 382.5
BDBM50198596
Wt: 406.5
BDBM50198597
Wt: 354.4
BDBM50198598
Wt: 366.4
BDBM50198609
Wt: 412.5
BDBM50199597
Wt: 410.5
BDBM50199607
Wt: 412.5
BDBM50371306

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 50198586,50198588,50198590,50198595,50198596,50198597,50198598,50198609,50199597,50199607,50371306   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198598
PNG
(CHEMBL396945 | N-ethyl-3-(4-(4-methoxyphenyl)-2-me...)
Show SMILES CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1
Show InChI InChI=1/C22H30N2O2/c1-4-23-12-5-13-26-20-10-11-21-18(14-20)15-24(2)16-22(21)17-6-8-19(25-3)9-7-17/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3
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0.730n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198609
PNG
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198596
PNG
(CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...)
Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1
Show InChI InChI=1/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3
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1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3


Bioorg Med Chem Lett 17: 5325-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198596
PNG
(CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...)
Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1
Show InChI InChI=1/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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3n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198586
PNG
(CHEMBL232660 | N-(3-(4-(4-methoxyphenyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCNC3CC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-25-15-18-14-21(27-13-3-12-24-19-6-7-19)10-11-22(18)23(16-25)17-4-8-20(26-2)9-5-17/h4-5,8-11,14,19,23-24H,3,6-7,12-13,15-16H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198598
PNG
(CHEMBL396945 | N-ethyl-3-(4-(4-methoxyphenyl)-2-me...)
Show SMILES CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1
Show InChI InChI=1/C22H30N2O2/c1-4-23-12-5-13-26-20-10-11-21-18(14-20)15-24(2)16-22(21)17-6-8-19(25-3)9-7-17/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50371306
PNG
(CHEMBL257917 | JNJ-28583867)
Show SMILES CSc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3/t24-/m0/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
Inhibition of human SERT


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198588
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198588
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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4n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198596
PNG
(CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...)
Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1
Show InChI InChI=1/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198609
PNG
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198609
PNG
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3
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4.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198588
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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4.80n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198588
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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4.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 5325-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198595
PNG
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C#N)ccc12
Show InChI InChI=1/C26H33N3O2/c1-28-18-22-16-24(31-15-3-12-29-13-10-20(17-27)11-14-29)8-9-25(22)26(19-28)21-4-6-23(30-2)7-5-21/h4-9,16,20,26H,3,10-15,18-19H2,1-2H3
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5.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198595
PNG
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C#N)ccc12
Show InChI InChI=1/C26H33N3O2/c1-28-18-22-16-24(31-15-3-12-29-13-10-20(17-27)11-14-29)8-9-25(22)26(19-28)21-4-6-23(30-2)7-5-21/h4-9,16,20,26H,3,10-15,18-19H2,1-2H3
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5.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199607
PNG
((R)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)
Show SMILES COc1ccc(cc1)[C@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12
Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25+/m0/s1
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6n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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6.20n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198588
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198588
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-morpholinopropox...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O3/c1-25-17-20-16-22(29-13-3-10-26-11-14-28-15-12-26)8-9-23(20)24(18-25)19-4-6-21(27-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50199607
PNG
((R)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)
Show SMILES COc1ccc(cc1)[C@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12
Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25+/m0/s1
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6.90n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198595
PNG
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C#N)ccc12
Show InChI InChI=1/C26H33N3O2/c1-28-18-22-16-24(31-15-3-12-29-13-10-20(17-27)11-14-29)8-9-25(22)26(19-28)21-4-6-23(30-2)7-5-21/h4-9,16,20,26H,3,10-15,18-19H2,1-2H3
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7.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198597
PNG
(CHEMBL232661 | N-cyclopropyl-N-(3-(4-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN(C3CC3)C3CC3)ccc12
Show InChI InChI=1/C26H34N2O2/c1-27-17-20-16-24(30-15-3-14-28(21-6-7-21)22-8-9-22)12-13-25(20)26(18-27)19-4-10-23(29-2)11-5-19/h4-5,10-13,16,21-22,26H,3,6-9,14-15,17-18H2,1-2H3
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7.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198597
PNG
(CHEMBL232661 | N-cyclopropyl-N-(3-(4-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN(C3CC3)C3CC3)ccc12
Show InChI InChI=1/C26H34N2O2/c1-27-17-20-16-24(30-15-3-14-28(21-6-7-21)22-8-9-22)12-13-25(20)26(18-27)19-4-10-23(29-2)11-5-19/h4-5,10-13,16,21-22,26H,3,6-9,14-15,17-18H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198597
PNG
(CHEMBL232661 | N-cyclopropyl-N-(3-(4-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN(C3CC3)C3CC3)ccc12
Show InChI InChI=1/C26H34N2O2/c1-27-17-20-16-24(30-15-3-14-28(21-6-7-21)22-8-9-22)12-13-25(20)26(18-27)19-4-10-23(29-2)11-5-19/h4-5,10-13,16,21-22,26H,3,6-9,14-15,17-18H2,1-2H3
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9.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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10n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50371306
PNG
(CHEMBL257917 | JNJ-28583867)
Show SMILES CSc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3/t24-/m0/s1
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10.6n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human histamine H3 receptor


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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11n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50199607
PNG
((R)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methy...)
Show SMILES COc1ccc(cc1)[C@H]1CN(C)Cc2cc(OCCCN3CCOC[C@@H]3C)ccc12
Show InChI InChI=1S/C25H34N2O3/c1-19-18-29-14-12-27(19)11-4-13-30-23-9-10-24-21(15-23)16-26(2)17-25(24)20-5-7-22(28-3)8-6-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3/t19-,25+/m0/s1
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13n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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13n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198586
PNG
(CHEMBL232660 | N-(3-(4-(4-methoxyphenyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCNC3CC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-25-15-18-14-21(27-13-3-12-24-19-6-7-19)10-11-22(18)23(16-25)17-4-8-20(26-2)9-5-17/h4-5,8-11,14,19,23-24H,3,6-7,12-13,15-16H2,1-2H3
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19.3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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29n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN uptake in human DAT expressed in CHO cells


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198586
PNG
(CHEMBL232660 | N-(3-(4-(4-methoxyphenyl)-2-methyl-...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCNC3CC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-25-15-18-14-21(27-13-3-12-24-19-6-7-19)10-11-22(18)23(16-25)17-4-8-20(26-2)9-5-17/h4-5,8-11,14,19,23-24H,3,6-7,12-13,15-16H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198598
PNG
(CHEMBL396945 | N-ethyl-3-(4-(4-methoxyphenyl)-2-me...)
Show SMILES CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1
Show InChI InChI=1/C22H30N2O2/c1-4-23-12-5-13-26-20-10-11-21-18(14-20)15-24(2)16-22(21)17-6-8-19(25-3)9-7-17/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3
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47n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50199597
PNG
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12
Show InChI InChI=1/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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106n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine uptake in human NET expressed in MDCK cells


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair