Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM126694'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM126694 (US8778970, 5-2) Show SMILES OCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br Show InChI InChI=1S/C25H32BrNO4/c26-22-3-1-20(17-25(22)31-14-12-28)15-19-6-10-27(11-7-19)9-5-18-2-4-24-21(16-18)23(29)8-13-30-24/h1-4,16-17,19,23,28-29H,5-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	33	-42.7	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
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