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BDBM50048896 (2S,3R,11bR)-2-tert-Butyl-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol::CHEMBL58121

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

InChI Key: InChIKey=KJFMTWUSGJYIOO-BOCKYXSRSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50048896   
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))		BDBM50048896
PNG
((2S,3R,11bR)-2-tert-Butyl-3-isobutyl-9,10-dimethox...)
Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@@](O)(C[C@@H]3c2cc1OC)C(C)(C)C
Show InChI InChI=1S/C23H37NO3/c1-15(2)10-17-14-24-9-8-16-11-20(26-6)21(27-7)12-18(16)19(24)13-23(17,25)22(3,4)5/h11-12,15,17,19,25H,8-10,13-14H2,1-7H3/t17-,19-,23+/m1/s1
UniProtKB/SwissProt

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Similars
Article
PubMed
 136n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)

J Med Chem 39: 191-6 (1996)


Article DOI: 10.1021/jm950117b
BindingDB Entry DOI: 10.7270/Q2FJ2FVH
More data for this
Ligand-Target Pair