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SMILES: Cl.COc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1

InChI Key: InChIKey=NOEGATWTDSFHQF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176137   
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))
BDBM50176137
PNG
(CHEMBL3809258)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C22H28ClNO.ClH/c1-25-21-10-8-18(9-11-21)6-7-19-12-15-24(16-13-19)17-14-20-4-2-3-5-22(20)23;/h2-5,8-11,19H,6-7,12-17H2,1H3;1H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
40n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50176137
PNG
(CHEMBL3809258)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C22H28ClNO.ClH/c1-25-21-10-8-18(9-11-21)6-7-19-12-15-24(16-13-19)17-14-20-4-2-3-5-22(20)23;/h2-5,8-11,19H,6-7,12-17H2,1H3;1H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
230n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair