Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50219243'   

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 (Homo sapiens (Human))	BDBM50219243 (CHEMBL351300) Show SMILES Fc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(Br)cc4C3)CC2)cc1 |wU:10.9,wD:13.13,(23.16,-8.33,;22.06,-9.43,;22.06,-10.97,;20.72,-11.75,;19.39,-10.97,;18.06,-11.74,;16.73,-10.97,;15.39,-11.74,;15.39,-13.28,;14.05,-10.97,;12.7,-11.72,;12.7,-13.27,;11.39,-14.04,;10.05,-13.27,;8.72,-14.05,;7.37,-13.29,;6.04,-14.06,;5.13,-12.81,;3.66,-13.3,;2.32,-12.53,;.99,-13.3,;.99,-14.86,;-.34,-15.62,;2.32,-15.63,;3.66,-14.83,;5.15,-15.32,;10.05,-11.72,;11.39,-10.95,;19.39,-9.43,;20.72,-8.66,)| Show InChI InChI=1S/C25H28BrFN2O/c26-22-7-6-20-16-29(17-21(20)15-22)14-13-19-3-10-24(11-4-19)28-25(30)12-5-18-1-8-23(27)9-2-18/h1-2,5-9,12,15,19,24H,3-4,10-11,13-14,16-17H2,(H,28,30)/b12-5+/t19-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	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 of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells				Bioorg Med Chem Lett 11: 685-8 (2001) BindingDB Entry DOI: 10.7270/Q2JS9SMH
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