Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50171664'   

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))	BDBM50171664 (8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...) Show SMILES CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cccc12 Show InChI InChI=1S/C24H30N4S/c1-24(2)11-12-25-22-18(6-5-8-20(22)24)10-13-27-14-16-28(17-15-27)23-19-7-3-4-9-21(19)29-26-23/h3-9,25H,10-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells				Bioorg Med Chem Lett 15: 4560-3 (2005) Article DOI: 10.1016/j.bmcl.2005.06.097 BindingDB Entry DOI: 10.7270/Q27S7NBQ
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