Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50018044'   

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))	BDBM50018044 (CHEMBL3289965) Show SMILES O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2scnc12 Show InChI InChI=1S/C21H23N5O2S3/c27-31(28,19-8-3-7-18-20(19)22-15-29-18)23-9-4-10-25-11-13-26(14-12-25)21-16-5-1-2-6-17(16)30-24-21/h1-3,5-8,15,23H,4,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	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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