null

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

InChI Key: InChIKey=ACJLTODAAAIJTN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 126696   

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))	BDBM126696 (US8778970, 5-4) Show SMILES OCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br Show InChI InChI=1S/C25H30BrNO5/c26-21-3-1-19(15-24(21)31-12-11-28)13-18-6-9-27(10-7-18)8-5-17-2-4-23-20(14-17)25(30)22(29)16-32-23/h1-4,14-15,18,22,28-29H,5-13,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.5	-11.3	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))	BDBM126696 (US8778970, 5-4) Show SMILES OCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br Show InChI InChI=1S/C25H30BrNO5/c26-21-3-1-19(15-24(21)31-12-11-28)13-18-6-9-27(10-7-18)8-5-17-2-4-23-20(14-17)25(30)22(29)16-32-23/h1-4,14-15,18,22,28-29H,5-13,16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	18	-10.6	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM126696 (US8778970, 5-4) Show SMILES OCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br Show InChI InChI=1S/C25H30BrNO5/c26-21-3-1-19(15-24(21)31-12-11-28)13-18-6-9-27(10-7-18)8-5-17-2-4-23-20(14-17)25(30)22(29)16-32-23/h1-4,14-15,18,22,28-29H,5-13,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+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