Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50207092'   

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))	BDBM50207092 (CHEMBL3891773) Show SMILES N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:1.0,wD:4.4,(24.48,-16.8,;26.02,-16.8,;26.79,-15.47,;28.33,-15.47,;29.1,-16.8,;30.64,-16.8,;31.41,-18.14,;32.95,-18.14,;33.72,-16.8,;35.26,-16.8,;36.03,-18.14,;35.26,-19.47,;33.72,-19.47,;37.57,-18.14,;38.47,-16.89,;39.94,-17.37,;39.94,-18.91,;41.08,-19.94,;40.77,-21.44,;39.3,-21.92,;38.15,-20.88,;38.47,-19.38,;28.33,-18.14,;26.79,-18.14,)| Show InChI InChI=1S/C19H28N4S/c20-16-7-5-15(6-8-16)9-10-22-11-13-23(14-12-22)19-17-3-1-2-4-18(17)24-21-19/h1-4,15-16H,5-14,20H2/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	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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