Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50217166'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50217166 (CHEMBL52901) Show SMILES FC(F)(F)S(=O)(=O)Oc1ccc2CCN(CCCCNC(=O)\C=C\c3cnc4ccccc4c3)Cc2c1 Show InChI InChI=1S/C26H26F3N3O4S/c27-26(28,29)37(34,35)36-23-9-8-20-11-14-32(18-22(20)16-23)13-4-3-12-30-25(33)10-7-19-15-21-5-1-2-6-24(21)31-17-19/h1-2,5-10,15-17H,3-4,11-14,18H2,(H,30,33)/b10-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells				Bioorg Med Chem Lett 9: 179-84 (1999) BindingDB Entry DOI: 10.7270/Q2057J4D
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