BindingDB logo
myBDB logout

BDBM50342819 (2S,3S,11bS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11bhexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol::(2S,3S,11bS)-3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol::CHEMBL507483

SMILES: COc1cc2CCN3C[C@H](CC(C)C)[C@@H](O)C[C@H]3c2cc1OC

InChI Key: InChIKey=WEQLWGNDNRARGE-XIRDDKMYSA-N

Data: 1 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 1 hit for monomerid = 50342819   
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))		BDBM50342819
PNG
((2S,3S,11bS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,1...)
Show SMILES COc1cc2CCN3C[C@H](CC(C)C)[C@@H](O)C[C@H]3c2cc1OC |r|
Show InChI InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 2.37E+4n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DHTBZ from Sprague-Dawley rat striatum VMAT2 after 1 hr by liquid scintillation counting

Eur J Med Chem 46: 1841-8 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.046
BindingDB Entry DOI: 10.7270/Q2251JHP
More data for this
Ligand-Target Pair