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12 similar compounds to monomer 50400902

Wt: 284.4
BDBM50400895
Purchase
Wt: 326.4
BDBM50400878
Wt: 298.4
BDBM50400885
Wt: 298.4
BDBM50400889
Wt: 312.4
BDBM50400906
Purchase
Wt: 312.4
BDBM50400907
Wt: 312.4
BDBM50400908
Wt: 312.4
BDBM50400909
Purchase
Wt: 312.4
BDBM50400910
Wt: 312.4
BDBM50400911
Wt: 284.4
BDBM50400877
Wt: 284.4
BDBM50400880
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50400895,50400878,50400885,50400889,50400906,50400907,50400908,50400909,50400910,50400911,50400877,50400880   
Target
(Institution)
LigandTarget
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
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400895
PNG
(CHEMBL2205051)
Show SMILES Cc1ccccc1Sc1ccccc1N1CCNCC1
Show InChI InChI=1S/C17H20N2S/c1-14-6-2-4-8-16(14)20-17-9-5-3-7-15(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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PubMed
14n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400906
PNG
(CHEMBL2205034)
Show SMILES Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-4-3-6-17(19)21-12-5-10-20-11-13-21/h3-4,6-9,14,20H,5,10-13H2,1-2H3
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27n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400889
PNG
(CHEMBL2204357)
Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
PDB

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29n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400889
PNG
(CHEMBL2204357)
Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
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31n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400895
PNG
(CHEMBL2205051)
Show SMILES Cc1ccccc1Sc1ccccc1N1CCNCC1
Show InChI InChI=1S/C17H20N2S/c1-14-6-2-4-8-16(14)20-17-9-5-3-7-15(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
PDB

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32n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400880
PNG
(CHEMBL2205045)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2S/c1-14-6-8-15(9-7-14)20-17-5-3-2-4-16(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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44n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400909
PNG
(CHEMBL2205031)
Show SMILES Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-5-7-18(16(3)12-14)22-19-13-15(2)4-6-17(19)21-10-8-20-9-11-21/h4-7,12-13,20H,8-11H2,1-3H3
PDB

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45n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400880
PNG
(CHEMBL2205045)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2S/c1-14-6-8-15(9-7-14)20-17-5-3-2-4-16(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
PDB

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56n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400907
PNG
(CHEMBL2205033)
Show SMILES CN1CCN(CC1)c1ccccc1Sc1ccc(C)cc1C
Show InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-5-4-6-17(19)21-12-10-20(3)11-13-21/h4-9,14H,10-13H2,1-3H3
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120n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400907
PNG
(CHEMBL2205033)
Show SMILES CN1CCN(CC1)c1ccccc1Sc1ccc(C)cc1C
Show InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-5-4-6-17(19)21-12-10-20(3)11-13-21/h4-9,14H,10-13H2,1-3H3
PDB

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130n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400910
PNG
(CHEMBL2204365)
Show SMILES Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-4-6-18(16(3)12-14)22-19-7-5-15(2)13-17(19)21-10-8-20-9-11-21/h4-7,12-13,20H,8-11H2,1-3H3
PDB

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150n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400911
PNG
(CHEMBL2204364)
Show SMILES Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-7-8-17(16(3)13-14)22-18-6-4-5-15(2)19(18)21-11-9-20-10-12-21/h4-8,13,20H,9-12H2,1-3H3
PDB

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160n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400885
PNG
(CHEMBL2205040)
Show SMILES Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Show InChI InChI=1S/C18H22N2S/c1-14-3-6-16(7-4-14)21-18-8-5-15(2)13-17(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
PDB

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260n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400877
PNG
(CHEMBL2205036)
Show SMILES Cc1ccc(Sc2ccccc2)c(c1)N1CCNCC1
Show InChI InChI=1S/C17H20N2S/c1-14-7-8-17(20-15-5-3-2-4-6-15)16(13-14)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
PDB

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310n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400906
PNG
(CHEMBL2205034)
Show SMILES Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-4-3-6-17(19)21-12-5-10-20-11-13-21/h3-4,6-9,14,20H,5,10-13H2,1-2H3
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310n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400911
PNG
(CHEMBL2204364)
Show SMILES Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-7-8-17(16(3)13-14)22-18-6-4-5-15(2)19(18)21-11-9-20-10-12-21/h4-8,13,20H,9-12H2,1-3H3
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420n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400878
PNG
(CHEMBL2205047)
Show SMILES CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C20H26N2S/c1-20(2,3)16-8-10-17(11-9-16)23-19-7-5-4-6-18(19)22-14-12-21-13-15-22/h4-11,21H,12-15H2,1-3H3
PDB

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450n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400908
PNG
(CHEMBL2205032)
Show SMILES Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-7-8-18(16(3)13-14)22-19-15(2)5-4-6-17(19)21-11-9-20-10-12-21/h4-8,13,20H,9-12H2,1-3H3
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540n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50400908
PNG
(CHEMBL2205032)
Show SMILES Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-7-8-18(16(3)13-14)22-19-15(2)5-4-6-17(19)21-11-9-20-10-12-21/h4-8,13,20H,9-12H2,1-3H3
PDB

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670n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400877
PNG
(CHEMBL2205036)
Show SMILES Cc1ccc(Sc2ccccc2)c(c1)N1CCNCC1
Show InChI InChI=1S/C17H20N2S/c1-14-7-8-17(20-15-5-3-2-4-6-15)16(13-14)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400909
PNG
(CHEMBL2205031)
Show SMILES Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-5-7-18(16(3)12-14)22-19-13-15(2)4-6-17(19)21-10-8-20-9-11-21/h4-7,12-13,20H,8-11H2,1-3H3
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1.40E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400878
PNG
(CHEMBL2205047)
Show SMILES CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C20H26N2S/c1-20(2,3)16-8-10-17(11-9-16)23-19-7-5-4-6-18(19)22-14-12-21-13-15-22/h4-11,21H,12-15H2,1-3H3
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2.50E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400910
PNG
(CHEMBL2204365)
Show SMILES Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-4-6-18(16(3)12-14)22-19-7-5-15(2)13-17(19)21-10-8-20-9-11-21/h4-7,12-13,20H,8-11H2,1-3H3
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2.70E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50400885
PNG
(CHEMBL2205040)
Show SMILES Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Show InChI InChI=1S/C18H22N2S/c1-14-3-6-16(7-4-14)21-18-8-5-15(2)13-17(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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2.80E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50400889
PNG
(CHEMBL2204357)
Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 using 7-ethoxy-3-cyanocoumarin after 28 mins by fluorescence spectrophotometric analysis


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50400880
PNG
(CHEMBL2205045)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2S/c1-14-6-8-15(9-7-14)20-17-5-3-2-4-16(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 using dibenzylfluorescein after 45 mins by fluorescence spectrophotometric analysis


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50400889
PNG
(CHEMBL2204357)
Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 using dibenzylfluorescein after 45 mins by fluorescence spectrophotometric analysis


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50400880
PNG
(CHEMBL2205045)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2S/c1-14-6-8-15(9-7-14)20-17-5-3-2-4-16(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy- 4-methylcoumarin after 45 mins by fluorescence spectro...


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50400889
PNG
(CHEMBL2204357)
Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy- 4-methylcoumarin after 45 mins by fluorescence spectro...


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50400880
PNG
(CHEMBL2205045)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2S/c1-14-6-8-15(9-7-14)20-17-5-3-2-4-16(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using resorufin benzyl ether after 30 mins by fluorescence spectrophotometric analysis


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50400889
PNG
(CHEMBL2204357)
Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using resorufin benzyl ether after 30 mins by fluorescence spectrophotometric analysis


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50400880
PNG
(CHEMBL2205045)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2S/c1-14-6-8-15(9-7-14)20-17-5-3-2-4-16(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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n/an/a 110n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA in rat synaptomsomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50400889
PNG
(CHEMBL2204357)
Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA in rat synaptomsomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400911
PNG
(CHEMBL2204364)
Show SMILES Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-7-8-17(16(3)13-14)22-18-6-4-5-15(2)19(18)21-11-9-20-10-12-21/h4-8,13,20H,9-12H2,1-3H3
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n/an/a 44n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50400880
PNG
(CHEMBL2205045)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2S/c1-14-6-8-15(9-7-14)20-17-5-3-2-4-16(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 using 7-ethoxy-3-cyanocoumarin after 28 mins by fluorescence spectrophotometric analysis


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400909
PNG
(CHEMBL2205031)
Show SMILES Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-5-7-18(16(3)12-14)22-19-13-15(2)4-6-17(19)21-10-8-20-9-11-21/h4-7,12-13,20H,8-11H2,1-3H3
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n/an/a 200n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400908
PNG
(CHEMBL2205032)
Show SMILES Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-7-8-18(16(3)13-14)22-19-15(2)5-4-6-17(19)21-11-9-20-10-12-21/h4-8,13,20H,9-12H2,1-3H3
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n/an/a 540n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400907
PNG
(CHEMBL2205033)
Show SMILES CN1CCN(CC1)c1ccccc1Sc1ccc(C)cc1C
Show InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-5-4-6-17(19)21-12-10-20(3)11-13-21/h4-9,14H,10-13H2,1-3H3
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n/an/a 680n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400906
PNG
(CHEMBL2205034)
Show SMILES Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-15-8-9-18(16(2)14-15)22-19-7-4-3-6-17(19)21-12-5-10-20-11-13-21/h3-4,6-9,14,20H,5,10-13H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400885
PNG
(CHEMBL2205040)
Show SMILES Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Show InChI InChI=1S/C18H22N2S/c1-14-3-6-16(7-4-14)21-18-8-5-15(2)13-17(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400880
PNG
(CHEMBL2205045)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C17H20N2S/c1-14-6-8-15(9-7-14)20-17-5-3-2-4-16(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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n/an/a 18n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400878
PNG
(CHEMBL2205047)
Show SMILES CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C20H26N2S/c1-20(2,3)16-8-10-17(11-9-16)23-19-7-5-4-6-18(19)22-14-12-21-13-15-22/h4-11,21H,12-15H2,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400895
PNG
(CHEMBL2205051)
Show SMILES Cc1ccccc1Sc1ccccc1N1CCNCC1
Show InChI InChI=1S/C17H20N2S/c1-14-6-2-4-8-16(14)20-17-9-5-3-7-15(17)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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n/an/a 51n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400889
PNG
(CHEMBL2204357)
Show SMILES Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Show InChI InChI=1S/C18H22N2S/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
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n/an/a 4.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400877
PNG
(CHEMBL2205036)
Show SMILES Cc1ccc(Sc2ccccc2)c(c1)N1CCNCC1
Show InChI InChI=1S/C17H20N2S/c1-14-7-8-17(20-15-5-3-2-4-6-15)16(13-14)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
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n/an/a 150n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50400910
PNG
(CHEMBL2204365)
Show SMILES Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C19H24N2S/c1-14-4-6-18(16(3)12-14)22-19-7-5-15(2)13-17(19)21-10-8-20-9-11-21/h4-7,12-13,20H,8-11H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting


J Med Chem 54: 3206-21 (2011)

More data for this
Ligand-Target Pair