Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50219205'   

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))	BDBM50219205 (CHEMBL162193) Show SMILES Fc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(cc4C3)C#N)CC2)cc1 |wU:10.9,wD:13.13,(23.45,-7.82,;22.68,-9.17,;22.68,-10.71,;21.35,-11.48,;20.01,-10.69,;18.68,-11.46,;17.35,-10.69,;16,-11.46,;16,-13.01,;14.66,-10.71,;13.31,-11.46,;13.31,-13.01,;11.99,-13.78,;10.66,-13.01,;9.33,-13.8,;8,-13.03,;6.66,-13.8,;5.75,-12.56,;4.26,-13.05,;2.95,-12.28,;1.61,-13.05,;1.61,-14.6,;2.95,-15.37,;4.28,-14.6,;5.76,-15.07,;.27,-15.37,;-1.08,-16.13,;10.66,-11.46,;11.99,-10.69,;20,-9.17,;21.33,-8.39,)| Show InChI InChI=1S/C26H28FN3O/c27-24-8-2-19(3-9-24)6-12-26(31)29-25-10-4-20(5-11-25)13-14-30-17-22-7-1-21(16-28)15-23(22)18-30/h1-3,6-9,12,15,20,25H,4-5,10-11,13-14,17-18H2,(H,29,31)/b12-6+/t20-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	13	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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