Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50018043'   

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 2A (Homo sapiens (Human))	BDBM50018043 (CHEMBL3289964) Show SMILES O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cnc2ccccn12 Show InChI InChI=1S/C22H26N6O2S2/c29-32(30,21-17-23-20-9-3-5-12-28(20)21)24-10-4-6-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)31-25-22/h1-3,5,7-9,12,17,24H,4,6,10-11,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adamed Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...				J Med Chem 57: 4543-57 (2014) Article DOI: 10.1021/jm401895u BindingDB Entry DOI: 10.7270/Q2N29ZHX
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