Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50142635'   

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))	BDBM50142635 (8-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...) Show SMILES COc1ccc(cc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C24H35N3O3/c1-30-21-8-6-20(7-9-21)26-16-14-25(15-17-26)12-4-5-13-27-22(28)18-24(19-23(27)29)10-2-3-11-24/h6-9H,2-5,10-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	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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