Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50213549'   

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))	BDBM50213549 (1,5-bis-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1 Show InChI InChI=1S/C43H56N4O4/c1-48-42-18-6-4-16-40(42)46-28-24-44(25-29-46)22-20-36-12-10-14-38(34-36)50-32-8-3-9-33-51-39-15-11-13-37(35-39)21-23-45-26-30-47(31-27-45)41-17-5-7-19-43(41)49-2/h4-7,10-19,34-35H,3,8-9,20-33H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari A. Moro Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 6628-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.027 BindingDB Entry DOI: 10.7270/Q26M372M
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