Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50413564'   

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))	BDBM50413564 (CHEMBL469589) Show SMILES CN1C(=O)COc2c(CCCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H29FN4O2/c1-18-8-9-21-22(28-18)15-20(27)16-24(21)31-13-11-30(12-14-31)10-4-6-19-5-3-7-23-26(19)33-17-25(32)29(23)2/h3,5,7-9,15-16H,4,6,10-14,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
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