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SMILES: Cl.OC1COc2ccc(CCN3CCC(Cc4ccc(Br)c(OCC(O)=O)c4)CC3)cc2C1=O

InChI Key: InChIKey=HDURMQVFMDRYGM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 126704   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM126704 (US8778970, 4-10) Show SMILES Cl.OC1COc2ccc(CCN3CCC(Cc4ccc(Br)c(OCC(O)=O)c4)CC3)cc2C1=O Show InChI InChI=1S/C25H28BrNO6.ClH/c26-20-3-1-18(13-23(20)33-15-24(29)30)11-17-6-9-27(10-7-17)8-5-16-2-4-22-19(12-16)25(31)21(28)14-32-22;/h1-4,12-13,17,21,28H,5-11,14-15H2,(H,29,30);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	91	-9.60	n/a	n/a	n/a	n/a	n/a	n/a	25
Dainippon Sumitomo Pharma Co., Ltd US Patent					Assay 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-...				US Patent US8778970 (2014) BindingDB Entry DOI: 10.7270/Q2N878GH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM126704 (US8778970, 4-10) Show SMILES Cl.OC1COc2ccc(CCN3CCC(Cc4ccc(Br)c(OCC(O)=O)c4)CC3)cc2C1=O Show InChI InChI=1S/C25H28BrNO6.ClH/c26-20-3-1-18(13-23(20)33-15-24(29)30)11-17-6-9-27(10-7-17)8-5-16-2-4-22-19(12-16)25(31)21(28)14-32-22;/h1-4,12-13,17,21,28H,5-11,14-15H2,(H,29,30);1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	700	-8.39	n/a	n/a	n/a	n/a	n/a	n/a	25
Dainippon Sumitomo Pharma Co., Ltd US Patent					Assay 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...				US Patent US8778970 (2014) BindingDB Entry DOI: 10.7270/Q2N878GH
					More data for this Ligand-Target Pair