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BDBM50172088 (2R,4S)-2,4-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane::CHEMBL371493

SMILES: CN1C2CCC1[C@H](Cc1ccccc1)C[C@@H]2Cc1ccccc1

InChI Key: InChIKey=IVOKVSCIEVHNAL-FDRBHKFBSA-N

Data: 3 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50172088   
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
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50172088
PNG
((2R,4S)-2,4-dibenzyl-8-methyl-8-azabicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1[C@H](Cc1ccccc1)C[C@@H]2Cc1ccccc1 |TLB:7:6:1:4.3,THB:16:15:1:4.3|
Show InChI InChI=1S/C22H27N/c1-23-21-12-13-22(23)20(15-18-10-6-3-7-11-18)16-19(21)14-17-8-4-2-5-9-17/h2-11,19-22H,12-16H2,1H3/t19-,20+,21?,22?
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-dihydrotetrabenazine binding to vesicular monoamine transporter-2 of rat synaptic vesicle membranes


Bioorg Med Chem Lett 15: 4463-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.032
BindingDB Entry DOI: 10.7270/Q2J38S3H
More data for this
Ligand-Target Pair
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50172088
PNG
((2R,4S)-2,4-dibenzyl-8-methyl-8-azabicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1[C@H](Cc1ccccc1)C[C@@H]2Cc1ccccc1 |TLB:7:6:1:4.3,THB:16:15:1:4.3|
Show InChI InChI=1S/C22H27N/c1-23-21-12-13-22(23)20(15-18-10-6-3-7-11-18)16-19(21)14-17-8-4-2-5-9-17/h2-11,19-22H,12-16H2,1H3/t19-,20+,21?,22?
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-nicotine binding to vesicular monoamine transporter-2 of rat brain membranes


Bioorg Med Chem Lett 15: 4463-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.032
BindingDB Entry DOI: 10.7270/Q2J38S3H
More data for this
Ligand-Target Pair
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50172088
PNG
((2R,4S)-2,4-dibenzyl-8-methyl-8-azabicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1[C@H](Cc1ccccc1)C[C@@H]2Cc1ccccc1 |TLB:7:6:1:4.3,THB:16:15:1:4.3|
Show InChI InChI=1S/C22H27N/c1-23-21-12-13-22(23)20(15-18-10-6-3-7-11-18)16-19(21)14-17-8-4-2-5-9-17/h2-11,19-22H,12-16H2,1H3/t19-,20+,21?,22?
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-methyllycaconitine binding to vesicular monoamine transporter-2 of rat brain membranes


Bioorg Med Chem Lett 15: 4463-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.032
BindingDB Entry DOI: 10.7270/Q2J38S3H
More data for this
Ligand-Target Pair