Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50207090'   

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))	BDBM50207090 (CHEMBL3913691) Show SMILES FC(F)(F)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:7.6,wD:10.10,(11.43,-20.1,;11.8,-21.5,;10.77,-22.53,;10.39,-21.12,;13.28,-21.91,;13.7,-23.4,;14.31,-20.73,;15.81,-21.09,;16.83,-19.91,;18.37,-20.21,;18.83,-21.71,;20.33,-22.01,;21.35,-20.89,;22.89,-21.2,;23.35,-22.68,;24.85,-23,;25.87,-21.86,;25.41,-20.37,;23.92,-20.06,;27.41,-22.17,;28.03,-23.56,;29.57,-23.4,;29.88,-21.91,;31.22,-21.15,;31.22,-19.6,;29.88,-18.83,;28.55,-19.6,;28.55,-21.15,;17.81,-22.84,;16.32,-22.52,)| Show InChI InChI=1S/C21H27F3N4OS/c22-21(23,24)20(29)25-16-7-5-15(6-8-16)9-10-27-11-13-28(14-12-27)19-17-3-1-2-4-18(17)30-26-19/h1-4,15-16H,5-14H2,(H,25,29)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
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