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SMILES: COc1ccc(C[C@H]2C=C(Cc3ccc(OC)cc3)C3CCC2N3C)cc1

InChI Key: InChIKey=IIUCDLSWGJQFQI-HLJPNSHOSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50172092   
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
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50172092
PNG
((S)-2,4-Bis-(4-methoxy-benzyl)-8-methyl-8-aza-bicy...)
Show SMILES COc1ccc(C[C@H]2C=C(Cc3ccc(OC)cc3)C3CCC2N3C)cc1 |t:8,TLB:10:9:23:20.21,6:7:23:20.21|
Show InChI InChI=1S/C24H29NO2/c1-25-23-12-13-24(25)20(15-18-6-10-22(27-3)11-7-18)16-19(23)14-17-4-8-21(26-2)9-5-17/h4-11,16,19,23-24H,12-15H2,1-3H3/t19-,23?,24?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80E+3n/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
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50172092
PNG
((S)-2,4-Bis-(4-methoxy-benzyl)-8-methyl-8-aza-bicy...)
Show SMILES COc1ccc(C[C@H]2C=C(Cc3ccc(OC)cc3)C3CCC2N3C)cc1 |t:8,TLB:10:9:23:20.21,6:7:23:20.21|
Show InChI InChI=1S/C24H29NO2/c1-25-23-12-13-24(25)20(15-18-6-10-22(27-3)11-7-18)16-19(23)14-17-4-8-21(26-2)9-5-17/h4-11,16,19,23-24H,12-15H2,1-3H3/t19-,23?,24?/m0/s1
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
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50172092
PNG
((S)-2,4-Bis-(4-methoxy-benzyl)-8-methyl-8-aza-bicy...)
Show SMILES COc1ccc(C[C@H]2C=C(Cc3ccc(OC)cc3)C3CCC2N3C)cc1 |t:8,TLB:10:9:23:20.21,6:7:23:20.21|
Show InChI InChI=1S/C24H29NO2/c1-25-23-12-13-24(25)20(15-18-6-10-22(27-3)11-7-18)16-19(23)14-17-4-8-21(26-2)9-5-17/h4-11,16,19,23-24H,12-15H2,1-3H3/t19-,23?,24?/m0/s1
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