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PubMed code 20945906

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50247054
PNG
(6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)
Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)
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0.260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50330789
PNG
(CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...)
Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50330789
PNG
(CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...)
Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3
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0.720n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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0.780n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
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0.890n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50330790
PNG
(CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...)
Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50330788
PNG
(CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...)
Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330792
PNG
(CHEMBL1277686 | N-methyl-3-(naphthalen-1-yl)-3-phe...)
Show SMILES CNCCC(c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1/C20H21N/c1-21-15-14-19(16-8-3-2-4-9-16)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,21H,14-15H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/s2
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330790
PNG
(CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...)
Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50330790
PNG
(CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...)
Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50330788
PNG
(CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...)
Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330787
PNG
(4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...)
Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12
Show InChI InChI=1/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3
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7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50330787
PNG
(4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...)
Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12
Show InChI InChI=1/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330787
PNG
(4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...)
Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12
Show InChI InChI=1/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50330787
PNG
(4-(3-(Methylamino)-1-phenylpropyl)-6-(2-(pyrrolidi...)
Show SMILES CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12
Show InChI InChI=1/C26H32N2O2/c1-27-14-13-22(20-7-3-2-4-8-20)23-11-12-26(29)24-10-9-21(19-25(23)24)30-18-17-28-15-5-6-16-28/h2-4,7-12,19,22,27,29H,5-6,13-18H2,1H3
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37n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50330786
PNG
(CHEMBL1277410 | N-Methyl-3-phenyl-3-(6-(2-(pyrroli...)
Show SMILES CNCCC(Oc1cccc2cc(OCCN3CCCC3)ccc12)c1ccccc1
Show InChI InChI=1/C26H32N2O2/c1-27-15-14-25(21-8-3-2-4-9-21)30-26-11-7-10-22-20-23(12-13-24(22)26)29-19-18-28-16-5-6-17-28/h2-4,7-13,20,25,27H,5-6,14-19H2,1H3
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48n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330788
PNG
(CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...)
Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3
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>70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330789
PNG
(CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...)
Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3
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>70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330790
PNG
(CHEMBL1277594 | N-Methyl-3-phenyl-3-(4-(2-(pyrroli...)
Show SMILES CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C22H30N2O/c1-23-14-13-22(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-24-15-5-6-16-24/h2-4,7-12,22-23H,5-6,13-18H2,1H3
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>70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
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>70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330788
PNG
(CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...)
Show SMILES CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3
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89n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330789
PNG
(CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...)
Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3
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110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330786
PNG
(CHEMBL1277410 | N-Methyl-3-phenyl-3-(6-(2-(pyrroli...)
Show SMILES CNCCC(Oc1cccc2cc(OCCN3CCCC3)ccc12)c1ccccc1
Show InChI InChI=1/C26H32N2O2/c1-27-15-14-25(21-8-3-2-4-9-21)30-26-11-7-10-22-20-23(12-13-24(22)26)29-19-18-28-16-5-6-17-28/h2-4,7-13,20,25,27H,5-6,14-19H2,1H3
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230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/s2
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/s2
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/an/a 0.830n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NET


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50176062
PNG
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)
Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
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n/an/an/a 1.40n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NET


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%