Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50382298'   

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 (Rattus norvegicus (rat))	BDBM50382298 (CHEMBL2024512) Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)CC1 |r,wU:6.5,wD:9.9,(-4.08,-17.95,;-2.74,-17.17,;-1.41,-17.94,;-.08,-17.17,;-.08,-15.63,;1.26,-17.94,;2.59,-17.17,;2.59,-15.63,;3.92,-14.85,;5.25,-15.63,;6.58,-14.86,;7.92,-15.63,;9.25,-14.87,;10.58,-15.65,;11.91,-14.89,;11.92,-13.35,;13.26,-12.59,;14.59,-13.36,;15.92,-12.6,;17.26,-13.38,;17.25,-14.91,;15.92,-15.68,;14.58,-14.91,;15.92,-17.22,;14.59,-17.99,;17.25,-17.99,;15.94,-18.77,;10.59,-12.57,;9.25,-13.33,;5.25,-17.17,;3.92,-17.93,)| Show InChI InChI=1S/C23H34F3N3O2/c1-2-31-22(30)27-21-8-6-18(7-9-21)10-11-28-12-14-29(15-13-28)17-19-4-3-5-20(16-19)23(24,25)26/h3-5,16,18,21H,2,6-15,17H2,1H3,(H,27,30)/t18-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes				Bioorg Med Chem Lett 22: 3437-40 (2012) Article DOI: 10.1016/j.bmcl.2012.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1MZN
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