Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50382297'   

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(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50382297 (CHEMBL2024511) Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)CC1 |r,wU:5.4,wD:8.8,(-11.08,-24.94,;-9.74,-24.17,;-8.97,-22.83,;-10.51,-22.84,;-8.41,-24.94,;-7.08,-24.17,;-7.08,-22.63,;-5.75,-21.85,;-4.42,-22.63,;-3.08,-21.86,;-1.75,-22.63,;-.42,-21.87,;.91,-22.65,;2.24,-21.89,;2.25,-20.35,;3.59,-19.59,;4.92,-20.36,;6.26,-19.6,;7.59,-20.38,;7.58,-21.91,;6.25,-22.68,;4.91,-21.91,;6.25,-24.22,;4.92,-24.99,;7.59,-24.99,;6.27,-25.77,;.92,-19.57,;-.42,-20.33,;-4.42,-24.17,;-5.75,-24.93,)| Show InChI InChI=1S/C21H32F3N3O2S/c1-30(28,29)25-20-7-5-17(6-8-20)9-10-26-11-13-27(14-12-26)16-18-3-2-4-19(15-18)21(22,23)24/h2-4,15,17,20,25H,5-14,16H2,1H3/t17-,20-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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 rat recombinant dopamine D3 receptor expressed in Sf9 cells				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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