Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50116452'   

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))	BDBM50116452 (CHEMBL3609161) Show SMILES OCCN1CCN(CC1)c1nc(Nc2ccc(I)cc2)c2ccccc2n1 Show InChI InChI=1S/C20H22IN5O/c21-15-5-7-16(8-6-15)22-19-17-3-1-2-4-18(17)23-20(24-19)26-11-9-25(10-12-26)13-14-27/h1-8,27H,9-14H2,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin hydrochloride from 5-HT2A receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid...				Bioorg Med Chem Lett 25: 3970-4 (2015) Article DOI: 10.1016/j.bmcl.2015.07.030 BindingDB Entry DOI: 10.7270/Q2CC12G9
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