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Compile Data Set for Download or QSAR

Found 1710 hits with Last Name = 'king' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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0.120n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by PDSP Ki Database




Behav Brain Res 73: 157-61 (1996)


Article DOI: 10.1016/0166-4328(96)00089-7
BindingDB Entry DOI: 10.7270/Q2N58JX0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209809
PNG
(4-(3-(dimethylamino)-1-(4-(3-(piperidin-1-yl)propo...)
Show SMILES CN(C)CCC(Oc1ccc(cc1)C#N)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C26H35N3O2/c1-28(2)19-15-26(31-25-11-7-22(21-27)8-12-25)23-9-13-24(14-10-23)30-20-6-18-29-16-4-3-5-17-29/h7-14,26H,3-6,15-20H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217586
PNG
(CHEMBL442080 | N-(4-(3-((methylamino)methyl)-4-(4-...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCNC1CC1
Show InChI InChI=1S/C22H26N2OS/c1-23-16-18-15-17(5-3-4-14-24-19-7-8-19)6-13-22(18)25-20-9-11-21(26-2)12-10-20/h6,9-13,15,19,23-24H,4,7-8,14,16H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217575
PNG
(4-(4-(3-((methylamino)methyl)-4-(4-(methylthio)phe...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCNC(=O)C1
Show InChI InChI=1S/C23H27N3O2S/c1-24-16-19-15-18(5-3-4-13-26-14-12-25-23(27)17-26)6-11-22(19)28-20-7-9-21(29-2)10-8-20/h6-11,15,24H,4,12-14,16-17H2,1-2H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217584
PNG
((5-(4-(4-isopropylpiperazin-1-yl)butyl)-2-(4-(meth...)
Show SMILES CNCc1cc(CCCCN2CCN(CC2)C(C)C)ccc1Oc1ccc(SC)cc1
Show InChI InChI=1S/C26H39N3OS/c1-21(2)29-17-15-28(16-18-29)14-6-5-7-22-8-13-26(23(19-22)20-27-3)30-24-9-11-25(31-4)12-10-24/h8-13,19,21,27H,5-7,14-18,20H2,1-4H3
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0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217592
PNG
((5-(4-(4-isopropylpiperazin-1-yl)but-1-ynyl)-2-(4-...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(CC1)C(C)C
Show InChI InChI=1S/C26H35N3OS/c1-21(2)29-17-15-28(16-18-29)14-6-5-7-22-8-13-26(23(19-22)20-27-3)30-24-9-11-25(31-4)12-10-24/h8-13,19,21,27H,6,14-18,20H2,1-4H3
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217593
PNG
((5-bromo-2-(4-(methylthio)phenoxy)phenyl)-N-methyl...)
Show SMILES CNCc1cc(Br)ccc1Oc1ccc(SC)cc1
Show InChI InChI=1S/C15H16BrNOS/c1-17-10-11-9-12(16)3-8-15(11)18-13-4-6-14(19-2)7-5-13/h3-9,17H,10H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50371305
PNG
(CHEMBL272077)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-11-4-12-27(14-13-26)23(28)18-5-10-22(19(15-18)16-25-3)29-21-8-6-20(24)7-9-21/h5-10,15,17,25H,4,11-14,16H2,1-3H3
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0.5n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217579
PNG
((5-(4-(4-fluoropiperidin-1-yl)but-1-ynyl)-2-(4-(me...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCC(F)CC1
Show InChI InChI=1S/C24H29FN2OS/c1-26-18-20-17-19(5-3-4-14-27-15-12-21(25)13-16-27)6-11-24(20)28-22-7-9-23(29-2)10-8-22/h6-11,17,21,26H,4,12-16,18H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217590
PNG
((5-(4-(4-cyclopropylpiperazin-1-yl)butyl)-2-(4-(me...)
Show SMILES CNCc1cc(CCCCN2CCN(CC2)C2CC2)ccc1Oc1ccc(SC)cc1
Show InChI InChI=1S/C26H37N3OS/c1-27-20-22-19-21(6-13-26(22)30-24-9-11-25(31-2)12-10-24)5-3-4-14-28-15-17-29(18-16-28)23-7-8-23/h6,9-13,19,23,27H,3-5,7-8,14-18,20H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209802
PNG
(CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...)
Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.5|
Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(29-24-10-5-3-6-11-24)22-12-14-23(15-13-22)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209806
PNG
(CHEMBL245307 | N,N-dimethyl-3-phenyl-3-(3-(3-(pipe...)
Show SMILES CN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1 |w:5.4|
Show InChI InChI=1S/C25H36N2O2/c1-26(2)19-15-25(22-11-5-3-6-12-22)29-24-14-9-13-23(21-24)28-20-10-18-27-16-7-4-8-17-27/h3,5-6,9,11-14,21,25H,4,7-8,10,15-20H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209815
PNG
(3-(3-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...)
Show SMILES COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1 |w:8.8|
Show InChI InChI=1S/C26H38N2O3/c1-27(2)19-15-26(31-25-10-7-9-24(21-25)29-3)22-11-13-23(14-12-22)30-20-8-18-28-16-5-4-6-17-28/h7,9-14,21,26H,4-6,8,15-20H2,1-3H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50371294
PNG
(CHEMBL257208)
Show SMILES CNCc1cc(ccc1Oc1cccc(c1)C#N)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(6-9-23(20)30-22-5-2-4-18(14-22)16-25)24(29)28-11-3-10-27(12-13-28)21-7-8-21/h2,4-6,9,14-15,21,26H,3,7-8,10-13,17H2,1H3
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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
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))
BDBM50217589
PNG
((6S,10bR)-6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl...)
Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3/t26-,27+/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
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))
BDBM50217589
PNG
((6S,10bR)-6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl...)
Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3/t26-,27+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217572
PNG
(CHEMBL393036 | N-methyl(2-(4-(methylthio)phenoxy)-...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCCCC1
Show InChI InChI=1S/C24H30N2OS/c1-25-19-21-18-20(8-4-7-17-26-15-5-3-6-16-26)9-14-24(21)27-22-10-12-23(28-2)13-11-22/h9-14,18,25H,3,5-7,15-17,19H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217565
PNG
((5-(4-(4-isopropyl-1,4-diazepan-1-yl)but-1-ynyl)-2...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCCN(CC1)C(C)C
Show InChI InChI=1S/C27H37N3OS/c1-22(2)30-17-7-16-29(18-19-30)15-6-5-8-23-9-14-27(24(20-23)21-28-3)31-25-10-12-26(32-4)13-11-25/h9-14,20,22,28H,6-7,15-19,21H2,1-4H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209810
PNG
(CHEMBL245516 | N,N-dimethyl-3-(4-(3-(piperidin-1-y...)
Show SMILES CN(C)CCC(Oc1ccc(C)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C26H38N2O2/c1-22-8-12-25(13-9-22)30-26(16-20-27(2)3)23-10-14-24(15-11-23)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50217572
PNG
(CHEMBL393036 | N-methyl(2-(4-(methylthio)phenoxy)-...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCCCC1
Show InChI InChI=1S/C24H30N2OS/c1-25-19-21-18-20(8-4-7-17-26-15-5-3-6-16-26)9-14-24(21)27-22-10-12-23(28-2)13-11-22/h9-14,18,25H,3,5-7,15-17,19H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50217576
PNG
(CHEMBL236046 | N-methyl(2-(4-(methylthio)phenoxy)-...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCOCC1
Show InChI InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50371290
PNG
(CHEMBL401683)
Show SMILES CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C23H29N3O2/c1-24-17-19-16-18(8-11-22(19)28-21-6-3-2-4-7-21)23(27)26-13-5-12-25(14-15-26)20-9-10-20/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3
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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
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))
BDBM50371289
PNG
(CHEMBL258349)
Show SMILES CNCc1cc(ccc1Oc1ccc(F)cc1)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3
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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
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50217576
PNG
(CHEMBL236046 | N-methyl(2-(4-(methylthio)phenoxy)-...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCOCC1
Show InChI InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3
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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
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))
BDBM50209812
PNG
((4-(3-(dimethylamino)-1-phenoxypropyl)phenyl)(4-is...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)C(CCN(C)C)Oc1ccccc1 |w:17.19|
Show InChI InChI=1S/C25H35N3O2/c1-20(2)27-16-18-28(19-17-27)25(29)22-12-10-21(11-13-22)24(14-15-26(3)4)30-23-8-6-5-7-9-23/h5-13,20,24H,14-19H2,1-4H3
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209816
PNG
(3-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-N,N-dim...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C(CCN(C)C)Oc1ccccc1 |w:16.18|
Show InChI InChI=1S/C25H36N2O2/c1-20(2)27-18-14-24(15-19-27)28-23-12-10-21(11-13-23)25(16-17-26(3)4)29-22-8-6-5-7-9-22/h5-13,20,24-25H,14-19H2,1-4H3
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217595
PNG
(CHEMBL237317 | N-methyl(2-(4-(methylthio)phenoxy)-...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCSCC1
Show InChI InChI=1S/C23H28N2OS2/c1-24-18-20-17-19(5-3-4-12-25-13-15-28-16-14-25)6-11-23(20)26-21-7-9-22(27-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217577
PNG
(CHEMBL236010 | N-methyl(2-(4-(methylthio)phenoxy)-...)
Show SMILES CNCc1cc(CCCCN2CCSCC2)ccc1Oc1ccc(SC)cc1
Show InChI InChI=1S/C23H32N2OS2/c1-24-18-20-17-19(5-3-4-12-25-13-15-28-16-14-25)6-11-23(20)26-21-7-9-22(27-2)10-8-21/h6-11,17,24H,3-5,12-16,18H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50217579
PNG
((5-(4-(4-fluoropiperidin-1-yl)but-1-ynyl)-2-(4-(me...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCC(F)CC1
Show InChI InChI=1S/C24H29FN2OS/c1-26-18-20-17-19(5-3-4-14-27-15-12-21(25)13-16-27)6-11-24(20)28-22-7-9-23(29-2)10-8-22/h6-11,17,21,26H,4,12-16,18H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50371287
PNG
(CHEMBL272699)
Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3
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0.900n/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))
BDBM50209813
PNG
(CHEMBL246125 | N,N-dimethyl-3-(4-nitrophenoxy)-3-(...)
Show SMILES CN(C)CCC(Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C25H35N3O4/c1-26(2)19-15-25(32-24-13-9-22(10-14-24)28(29)30)21-7-11-23(12-8-21)31-20-6-18-27-16-4-3-5-17-27/h7-14,25H,3-6,15-20H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209799
PNG
(3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-(4-(3-(pipe...)
Show SMILES CN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C25H34Cl2N2O2/c1-28(2)17-13-25(31-22-11-12-23(26)24(27)19-22)20-7-9-21(10-8-20)30-18-6-16-29-14-4-3-5-15-29/h7-12,19,25H,3-6,13-18H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209800
PNG
(CHEMBL394321 | N,N-dimethyl-3-(4-(methylthio)pheno...)
Show SMILES CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7|
Show InChI InChI=1S/C26H38N2O2S/c1-27(2)20-16-26(30-24-12-14-25(31-3)15-13-24)22-8-10-23(11-9-22)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217576
PNG
(CHEMBL236046 | N-methyl(2-(4-(methylthio)phenoxy)-...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCOCC1
Show InChI InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209805
PNG
(3-(3-chlorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1cccc(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C25H35ClN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.970n/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 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50371286
PNG
(CHEMBL401867)
Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3
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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
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))
BDBM50209807
PNG
(3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50371280
PNG
(CHEMBL272289)
Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-10-5-11-27(13-12-26)23(28)18-8-9-22(19(14-18)16-25-3)29-21-7-4-6-20(24)15-21/h4,6-9,14-15,17,25H,5,10-13,16H2,1-3H3
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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
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))
BDBM50209820
PNG
(3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...)
Show SMILES COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7|
Show InChI InChI=1S/C26H38N2O3/c1-27(2)20-16-26(31-25-14-12-23(29-3)13-15-25)22-8-10-24(11-9-22)30-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209811
PNG
(CHEMBL248377 | N,N-dimethyl-3-phenyl-3-(4-(3-(pipe...)
Show SMILES CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1 |w:5.4|
Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(22-10-5-3-6-11-22)29-24-14-12-23(13-15-24)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50371281
PNG
(CHEMBL267267)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C24H33N3O2S/c1-18(2)26-12-5-13-27(15-14-26)24(28)19-6-11-23(20(16-19)17-25-3)29-21-7-9-22(30-4)10-8-21/h6-11,16,18,25H,5,12-15,17H2,1-4H3
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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
Inhibition of rat 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))
BDBM50209803
PNG
(3-(3-bromophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin...)
Show SMILES CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C25H35BrN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50217568
PNG
(1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(me...)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(C(C)C)C(=O)C1
Show InChI InChI=1S/C26H33N3O2S/c1-20(2)29-16-15-28(19-26(29)30)14-6-5-7-21-8-13-25(22(17-21)18-27-3)31-23-9-11-24(32-4)12-10-23/h8-13,17,20,27H,6,14-16,18-19H2,1-4H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50209802
PNG
(CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...)
Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.5|
Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(29-24-10-5-3-6-11-24)22-12-14-23(15-13-22)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50371291
PNG
(CHEMBL257009)
Show SMILES CNCc1cc(ccc1Oc1ccccc1C#N)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-18(7-10-23(20)30-22-6-3-2-5-19(22)16-25)24(29)28-12-4-11-27(13-14-28)21-8-9-21/h2-3,5-7,10,15,21,26H,4,8-9,11-14,17H2,1H3
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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
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))
BDBM50371314
PNG
(CHEMBL402949)
Show SMILES CNCc1cc(ccc1Oc1ccccc1F)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(7-10-21(18)29-22-6-3-2-5-20(22)24)23(28)27-12-4-11-26(13-14-27)19-8-9-19/h2-3,5-7,10,15,19,25H,4,8-9,11-14,16H2,1H3
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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
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))
BDBM50371315
PNG
(CHEMBL273136)
Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C24H31N3O3/c1-25-17-19-15-18(7-10-23(19)30-22-6-3-5-21(16-22)29-2)24(28)27-12-4-11-26(13-14-27)20-8-9-20/h3,5-7,10,15-16,20,25H,4,8-9,11-14,17H2,1-2H3
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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
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))
BDBM50371281
PNG
(CHEMBL267267)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C24H33N3O2S/c1-18(2)26-12-5-13-27(15-14-26)24(28)19-6-11-23(20(16-19)17-25-3)29-21-7-9-22(30-4)10-8-21/h6-11,16,18,25H,5,12-15,17H2,1-4H3
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1.10n/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
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