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SMILES: COCCOc1cc(CC2CCN(CCc3ccc4OC(O)CC(=O)c4c3)CC2)ccc1Br

InChI Key: InChIKey=QVPKMBDEMNWGPO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 126702   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM126702 (US8778970, 5-10) Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4OC(O)CC(=O)c4c3)CC2)ccc1Br Show InChI InChI=1S/C26H32BrNO5/c1-31-12-13-32-25-16-20(2-4-22(25)27)14-19-7-10-28(11-8-19)9-6-18-3-5-24-21(15-18)23(29)17-26(30)33-24/h2-5,15-16,19,26,30H,6-14,17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-12.1	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM126702 (US8778970, 5-10) Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4OC(O)CC(=O)c4c3)CC2)ccc1Br Show InChI InChI=1S/C26H32BrNO5/c1-31-12-13-32-25-16-20(2-4-22(25)27)14-19-7-10-28(11-8-19)9-6-18-3-5-24-21(15-18)23(29)17-26(30)33-24/h2-5,15-16,19,26,30H,6-14,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	33	-10.2	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM126702 (US8778970, 5-10) Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4OC(O)CC(=O)c4c3)CC2)ccc1Br Show InChI InChI=1S/C26H32BrNO5/c1-31-12-13-32-25-16-20(2-4-22(25)27)14-19-7-10-28(11-8-19)9-6-18-3-5-24-21(15-18)23(29)17-26(30)33-24/h2-5,15-16,19,26,30H,6-14,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd US Patent					Assay 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...				US Patent US8778970 (2014) BindingDB Entry DOI: 10.7270/Q2N878GH
					More data for this Ligand-Target Pair