Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50406759'   

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))	BDBM50406759 (CHEMBL39331) Show SMILES COc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1 Show InChI InChI=1S/C20H20N4O2/c1-25-16-5-2-13(3-6-16)10-19-23-20(26-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22H,8-10,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from pig cortex 5-hydroxytryptamine 1A receptor				J Med Chem 36: 1529-38 (1993) BindingDB Entry DOI: 10.7270/Q22V2HB9
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