Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM235779'   

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))	BDBM235779 (US9359372, DC037032) Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12 |r| Show InChI InChI=1S/C21H23NO4/c1-23-18-3-4-19(24-2)16-12-22-6-5-13-9-20-21(26-8-7-25-20)11-14(13)17(22)10-15(16)18/h3-4,9,11,17H,5-8,10,12H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40.6	-42.9	51.5	n/a	n/a	n/a	n/a	n/a	30
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...				US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP
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