BDBM126696 US8778970, 5-4

SMILES OCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br

InChI Key InChIKey=ACJLTODAAAIJTN-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 126696   

Target5-hydroxytryptamine receptor 1A(Human)
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126696(US8778970, 5-4)
Affinity DataKi:  5.5nM ΔG°:  -11.3kcal/moleT: 2°CAssay Description:The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2014
Entry Details
US Patent

TargetSodium-dependent serotonin transporter(Human)
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126696(US8778970, 5-4)
Affinity DataKi:  18nM ΔG°:  -10.6kcal/moleT: 2°CAssay Description:[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2014
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126696(US8778970, 5-4)
Affinity DataIC50: 5.00E+4nMAssay Description:Procedure: 1. A 10 mM solution of a test drug in DMSO was serially diluted with DMSO at four 5-fold dilutions to prepare 10, 2, 0.4 and 0.08 mM DM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2014
Entry Details
US Patent