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BDBM50171941 (2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine::CHEMBL372435::mesotransdiene

SMILES: CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1

InChI Key: InChIKey=BCHCCPODJPHTTL-GKQVGWSZSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50171941   
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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50171941
PNG
((2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine |...)
Show SMILES CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15-18,21-22H,8,13-14H2,1H3/b17-15+,18-16+/t21-,22+
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Article
PubMed
43n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1035-45 (2004)


Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50171941
PNG
((2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine |...)
Show SMILES CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15-18,21-22H,8,13-14H2,1H3/b17-15+,18-16+/t21-,22+
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Article
PubMed
277n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1035-45 (2004)


Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50171941
PNG
((2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine |...)
Show SMILES CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15-18,21-22H,8,13-14H2,1H3/b17-15+,18-16+/t21-,22+
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Article
PubMed
1.89E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 1035-45 (2004)


Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN
More data for this
Ligand-Target Pair
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50171941
PNG
((2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine |...)
Show SMILES CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15-18,21-22H,8,13-14H2,1H3/b17-15+,18-16+/t21-,22+
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Article
PubMed
9.88E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of 5 nM [3H]DTBZ binding to Vesicular Monoamine Transporter (VAMT2) of rat vesicle membranes


J Med Chem 48: 5551-60 (2005)


Article DOI: 10.1021/jm0501228
BindingDB Entry DOI: 10.7270/Q2CN74Q9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50171941
PNG
((2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine |...)
Show SMILES CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15-18,21-22H,8,13-14H2,1H3/b17-15+,18-16+/t21-,22+
PDB

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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of 3 nM [3H]-MLA binding to Nicotinic acetylcholine receptor alpha7 of rat brain membranes


J Med Chem 48: 5551-60 (2005)


Article DOI: 10.1021/jm0501228
BindingDB Entry DOI: 10.7270/Q2CN74Q9
More data for this
Ligand-Target Pair