Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50207147'   

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))	BDBM50207147 (CHEMBL3956720) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)C1CC1 |r,wU:3.2,wD:6.6,(14.82,-26.62,;14.05,-25.29,;14.82,-23.96,;16.36,-23.96,;17.13,-22.62,;18.67,-22.62,;19.44,-23.96,;20.98,-23.96,;21.75,-22.62,;23.29,-22.62,;24.05,-21.29,;25.59,-21.29,;26.37,-22.62,;25.59,-23.96,;24.05,-23.96,;27.9,-22.62,;28.8,-23.87,;30.27,-23.39,;30.27,-21.85,;31.41,-20.82,;31.09,-19.32,;29.63,-18.85,;28.48,-19.88,;28.8,-21.38,;18.67,-25.29,;17.13,-25.29,;12.51,-25.29,;11.17,-26.05,;11.17,-24.51,)| Show InChI InChI=1S/C23H32N4OS/c28-23(18-7-8-18)24-19-9-5-17(6-10-19)11-12-26-13-15-27(16-14-26)22-20-3-1-2-4-21(20)29-25-22/h1-4,17-19H,5-16H2,(H,24,28)/t17-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	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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