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26 similar compounds to monomer 50199601

Compile data set for download or QSAR
Wt: 394.5
BDBM50198590
Wt: 412.5
BDBM50198593
Wt: 419.5
BDBM50198595
Wt: 382.5
BDBM50198596
Wt: 354.4
BDBM50198598
Wt: 410.5
BDBM50198599
Wt: 416.5
BDBM50198600
Wt: 424.5
BDBM50198602
Wt: 462.5
BDBM50198610
Wt: 430.5
BDBM50198612
Wt: 416.9
BDBM50199592
Wt: 428.6
BDBM50199593
Wt: 446.9
BDBM50199594
Wt: 382.5
BDBM50199595
Wt: 416.9
BDBM50199596
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 50198590,50198593,50198595,50198596,50198598,50198599,50198600,50198602,50198610,50198612,50199592,50199593,50199594,50199595,50199596   
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))
BDBM50198599
PNG
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12
Show InChI InChI=1/C25H34N2O3/c1-26-17-20-16-23(30-15-3-12-27-13-10-21(28)11-14-27)8-9-24(20)25(18-26)19-4-6-22(29-2)7-5-19/h4-9,16,21,25,28H,3,10-15,17-18H2,1-2H3
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1.40n/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))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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1.60n/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))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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1.60n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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1.70n/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))
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))
BDBM50199593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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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 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))
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))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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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
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))
BDBM50199593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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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))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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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 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))
BDBM50198602
PNG
((1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12
Show InChI InChI=1/C26H36N2O3/c1-27-17-22-16-24(31-15-3-12-28-13-10-20(19-29)11-14-28)8-9-25(22)26(18-27)21-4-6-23(30-2)7-5-21/h4-9,16,20,26,29H,3,10-15,17-19H2,1-2H3
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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
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))
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))
BDBM50199593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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2.70n/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))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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2.90n/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 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))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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2.90n/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))
BDBM50198602
PNG
((1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12
Show InChI InChI=1/C26H36N2O3/c1-27-17-22-16-24(31-15-3-12-28-13-10-20(19-29)11-14-28)8-9-25(22)26(18-27)21-4-6-23(30-2)7-5-21/h4-9,16,20,26,29H,3,10-15,17-19H2,1-2H3
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3.20n/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))
BDBM50199595
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)
Show SMILES CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C24H31FN2O/c1-26-17-20-16-22(28-15-5-12-27-13-10-21(25)11-14-27)8-9-23(20)24(18-26)19-6-3-2-4-7-19/h2-4,6-9,16,21,24H,5,10-15,17-18H2,1H3
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3.30n/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 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))
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,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))
BDBM50198599
PNG
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12
Show InChI InChI=1/C25H34N2O3/c1-26-17-20-16-23(30-15-3-12-27-13-10-21(28)11-14-27)8-9-24(20)25(18-26)19-4-6-22(29-2)7-5-19/h4-9,16,21,25,28H,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 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))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,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 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))
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50199593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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4.20n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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4.5n/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 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))
BDBM50199593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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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 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))
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
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))
BDBM50199594
PNG
(4-(3-chloro-4-methoxyphenyl)-7-(3-(4-fluoropiperid...)
Show SMILES COc1ccc(cc1Cl)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H32ClFN2O2/c1-28-16-19-14-21(31-13-3-10-29-11-8-20(27)9-12-29)5-6-22(19)23(17-28)18-4-7-25(30-2)24(26)15-18/h4-7,14-15,20,23H,3,8-13,16-17H2,1-2H3
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5.30n/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
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50199596
PNG
(4-(2-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)
Show SMILES CN1CC(c2ccccc2Cl)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C24H30ClFN2O/c1-27-16-18-15-20(29-14-4-11-28-12-9-19(26)10-13-28)7-8-21(18)23(17-27)22-5-2-3-6-24(22)25/h2-3,5-8,15,19,23H,4,9-14,16-17H2,1H3
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5.60n/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))
BDBM50199594
PNG
(4-(3-chloro-4-methoxyphenyl)-7-(3-(4-fluoropiperid...)
Show SMILES COc1ccc(cc1Cl)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H32ClFN2O2/c1-28-16-19-14-21(31-13-3-10-29-11-8-20(27)9-12-29)5-6-22(19)23(17-28)18-4-7-25(30-2)24(26)15-18/h4-7,14-15,20,23H,3,8-13,16-17H2,1-2H3
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5.70n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198612
PNG
(7-(3-(4,4-difluoropiperidin-1-yl)propoxy)-4-(4-met...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)CC3)ccc12
Show InChI InChI=1/C25H32F2N2O2/c1-28-17-20-16-22(31-15-3-12-29-13-10-25(26,27)11-14-29)8-9-23(20)24(18-28)19-4-6-21(30-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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5.70n/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))
BDBM50199593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,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 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))
BDBM50198612
PNG
(7-(3-(4,4-difluoropiperidin-1-yl)propoxy)-4-(4-met...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)CC3)ccc12
Show InChI InChI=1/C25H32F2N2O2/c1-28-17-20-16-22(31-15-3-12-29-13-10-25(26,27)11-14-29)8-9-23(20)24(18-28)19-4-6-21(30-2)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))
BDBM50198600
PNG
(7-(3-(3,3-difluoropyrrolidin-1-yl)propoxy)-4-(4-me...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)C3)ccc12
Show InChI InChI=1/C24H30F2N2O2/c1-27-15-19-14-21(30-13-3-11-28-12-10-24(25,26)17-28)8-9-22(19)23(16-27)18-4-6-20(29-2)7-5-18/h4-9,14,23H,3,10-13,15-17H2,1-2H3
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7.30n/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
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198600
PNG
(7-(3-(3,3-difluoropyrrolidin-1-yl)propoxy)-4-(4-me...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)C3)ccc12
Show InChI InChI=1/C24H30F2N2O2/c1-27-15-19-14-21(30-13-3-11-28-12-10-24(25,26)17-28)8-9-22(19)23(16-27)18-4-6-20(29-2)7-5-18/h4-9,14,23H,3,10-13,15-17H2,1-2H3
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8n/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))
BDBM50199592
PNG
(4-(4-chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)
Show SMILES CN1CC(c2ccc(Cl)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C24H30ClFN2O/c1-27-16-19-15-22(29-14-2-11-28-12-9-21(26)10-13-28)7-8-23(19)24(17-27)18-3-5-20(25)6-4-18/h3-8,15,21,24H,2,9-14,16-17H2,1H3
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8.30n/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 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))
BDBM50198612
PNG
(7-(3-(4,4-difluoropiperidin-1-yl)propoxy)-4-(4-met...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)(F)CC3)ccc12
Show InChI InChI=1/C25H32F2N2O2/c1-28-17-20-16-22(31-15-3-12-29-13-10-25(26,27)11-14-29)8-9-23(20)24(18-28)19-4-6-21(30-2)7-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3
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8.70n/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))
BDBM50199593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...)
Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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8.80n/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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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9.30n/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 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))
BDBM50198602
PNG
((1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12
Show InChI InChI=1/C26H36N2O3/c1-27-17-22-16-24(31-15-3-12-28-13-10-20(19-29)11-14-28)8-9-25(22)26(18-27)21-4-6-23(30-2)7-5-21/h4-9,16,20,26,29H,3,10-15,17-19H2,1-2H3
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9.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human 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
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