Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50007714'   

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))	BDBM50007714 (CHEMBL3233424) Show SMILES [H][C@@]12CCN(CCCC(=O)c3ccc(F)cc3)CC[C@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C25H30FN3O/c1-27-16-17-29-22-12-15-28(13-3-6-24(30)18-7-9-19(26)10-8-18)14-11-20(22)21-4-2-5-23(27)25(21)29/h2,4-5,7-10,20,22H,3,6,11-17H2,1H3/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
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