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BDBM50039602 (2R,3R)-3-(2-bromo-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol::CHEMBL406130

SMILES: O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc21

InChI Key: InChIKey=QAVMATCJPBGTSO-NHCUHLMSSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039602   
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 acetylcholine transporter


(Torpedo californica)
BDBM50039602
PNG
((2R,3R)-3-(2-bromo-1'H-spiro[indene-1,4'-piperidin...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc21 |c:21|
Show InChI InChI=1S/C23H24BrNO/c24-22-15-18-7-3-4-8-19(18)23(22)9-11-25(12-10-23)20-13-16-5-1-2-6-17(16)14-21(20)26/h1-8,15,20-21,26H,9-14H2/t20-,21-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.410n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro binding affinity to vesamicol receptor using [3H]-vesamicol.


J Med Chem 37: 2574-82 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6J44
More data for this
Ligand-Target Pair