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SMILES: Cl.COc1ccc(CCC2CCN(CCc3ccc(OC)cc3)CC2)cc1

InChI Key: InChIKey=JBDPITDIPXTLDQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176136   
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))		BDBM50176136
PNG
(CHEMBL3810332)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccc(OC)cc3)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-9-5-19(6-10-22)3-4-21-14-17-24(18-15-21)16-13-20-7-11-23(26-2)12-8-20;/h5-12,21H,3-4,13-18H2,1-2H3;1H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 160n/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))		BDBM50176136
PNG
(CHEMBL3810332)
Show SMILES Cl.COc1ccc(CCC2CCN(CCc3ccc(OC)cc3)CC2)cc1
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-9-5-19(6-10-22)3-4-21-14-17-24(18-15-21)16-13-20-7-11-23(26-2)12-8-20;/h5-12,21H,3-4,13-18H2,1-2H3;1H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.50E+3n/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