BDBM126693 US8778970, 5-1::US8778970, 5-12::US8778970, 5-13

SMILES O=S(=O)c1ccccc1.COCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br

InChI Key InChIKey=KHBCZXZGHJUMOW-UHFFFAOYSA-N

Data  6 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 126693   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Affinity DataKi:  4.60nM ΔG°:  -11.4kcal/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 DepthDetails US Patent
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Affinity DataKi:  6.30nM ΔG°:  -11.2kcal/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 DepthDetails US Patent
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Affinity DataKi:  8.20nM ΔG°:  -11.0kcal/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 DepthDetails US Patent
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Affinity DataKi:  12nM ΔG°:  -10.8kcal/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 DepthDetails US Patent
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Affinity DataKi:  22nM ΔG°:  -10.4kcal/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 DepthDetails US Patent
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Affinity DataKi:  184nM ΔG°:  -9.18kcal/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 DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Affinity DataIC50:  3.40E+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 DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Affinity DataIC50:  4.25E+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 DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Dainippon Sumitomo Pharma

US Patent
LigandPNGBDBM126693(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
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 DepthDetails US Patent