Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50398970'   

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))	BDBM50398970 (CHEMBL2179673) Show SMILES Cn1cc2c(OCC3CCN(CCc4ccccc4C(O)=O)CC3)nc3ccccc3c2c1 Show InChI InChI=1S/C27H29N3O3/c1-29-16-23-22-8-4-5-9-25(22)28-26(24(23)17-29)33-18-19-10-13-30(14-11-19)15-12-20-6-2-3-7-21(20)27(31)32/h2-9,16-17,19H,10-15,18H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Angelini Santa Palomba Research Center Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells				J Med Chem 55: 9446-66 (2012) Article DOI: 10.1021/jm300573d BindingDB Entry DOI: 10.7270/Q27082JT
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