Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50219204'   

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))	BDBM50219204 (CHEMBL161916) Show SMILES COc1ccc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)Cc2c1 |wU:13.16,wD:10.9,(-1.25,-14.81,;.08,-15.58,;1.42,-14.84,;1.42,-13.29,;2.76,-12.52,;4.09,-13.27,;5.56,-12.78,;6.47,-14.04,;7.8,-13.27,;9.14,-14.04,;10.47,-13.25,;11.8,-14.02,;13.12,-13.25,;13.12,-11.71,;11.8,-10.94,;10.47,-11.71,;14.46,-10.96,;15.79,-11.71,;15.79,-13.27,;17.14,-10.96,;18.47,-11.73,;19.8,-10.96,;21.13,-11.73,;22.46,-10.96,;22.46,-9.42,;23.56,-8.32,;21.12,-8.65,;19.79,-9.42,;5.57,-15.3,;4.09,-14.81,;2.76,-15.61,)| Show InChI InChI=1S/C26H31FN2O2/c1-31-25-12-7-21-17-29(18-22(21)16-25)15-14-20-4-10-24(11-5-20)28-26(30)13-6-19-2-8-23(27)9-3-19/h2-3,6-9,12-13,16,20,24H,4-5,10-11,14-15,17-18H2,1H3,(H,28,30)/b13-6+/t20-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.90	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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