Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50319428'   

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))	BDBM50319428 (CHEMBL1085628 | N-{4-[2-(4-Acetylpiperazin-1-yl)et...) Show SMILES CC(=O)N1CCN(CCOc2ccc(NC(=O)c3cccc(F)c3)cc2-c2c(Cl)cnn2C)CC1 |(-8.55,-30.04,;-9.88,-30.81,;-11.22,-30.03,;-9.89,-32.35,;-8.56,-33.12,;-8.56,-34.66,;-9.9,-35.43,;-9.9,-36.97,;-8.56,-37.74,;-8.56,-39.28,;-7.23,-40.05,;-5.9,-39.28,;-4.56,-40.04,;-4.56,-41.59,;-3.22,-42.36,;-1.89,-41.59,;-1.89,-40.05,;-.56,-42.36,;-.56,-43.89,;.77,-44.66,;2.1,-43.89,;2.1,-42.34,;3.43,-41.56,;.76,-41.58,;-5.9,-42.36,;-7.23,-41.59,;-8.56,-42.36,;-8.72,-43.89,;-7.57,-44.91,;-10.23,-44.21,;-11,-42.88,;-9.97,-41.73,;-10.28,-40.22,;-11.25,-34.66,;-11.24,-33.12,)| Show InChI InChI=1S/C25H27ClFN5O3/c1-17(33)32-10-8-31(9-11-32)12-13-35-23-7-6-20(15-21(23)24-22(26)16-28-30(24)2)29-25(34)18-4-3-5-19(27)14-18/h3-7,14-16H,8-13H2,1-2H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 4412-21 (2010) Article DOI: 10.1021/jm100044a BindingDB Entry DOI: 10.7270/Q2KK9BZV
					More data for this Ligand-Target Pair