Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50142647'   

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))	BDBM50142647 (8-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-8...) Show SMILES Fc1ccc(cc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C23H32FN3O2/c24-19-5-7-20(8-6-19)26-15-13-25(14-16-26)11-3-4-12-27-21(28)17-23(18-22(27)29)9-1-2-10-23/h5-8H,1-4,9-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay				Bioorg Med Chem Lett 14: 1709-12 (2004) Article DOI: 10.1016/j.bmcl.2004.01.045 BindingDB Entry DOI: 10.7270/Q2ZW1KB5
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