Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50504810'   

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))	BDBM50504810 (CHEMBL4442855) Show SMILES Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1 Show InChI InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to human 5-HT2AR expressed in HEK293 cells by competitive binding assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111857 BindingDB Entry DOI: 10.7270/Q2833W92
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