Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50218415'   

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))	BDBM50218415 (CHEMBL445111) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1ccnc2ccccc12 |wU:3.2,wD:6.6,(23.4,-13.46,;23.24,-11.92,;21.83,-11.3,;20.58,-12.2,;20.74,-13.74,;19.48,-14.65,;18.08,-14.02,;16.82,-14.93,;15.42,-14.3,;14.16,-15.21,;12.76,-14.58,;11.39,-15.28,;11.09,-16.8,;9.59,-17.08,;9.08,-18.52,;10.07,-19.71,;11.59,-19.41,;12.09,-17.96,;13.63,-17.92,;14.56,-16.7,;9.55,-21.16,;9.01,-22.63,;17.92,-12.48,;19.15,-11.57,;24.49,-11.02,;24.32,-9.48,;25.57,-8.58,;26.97,-9.21,;27.13,-10.74,;28.54,-11.36,;28.71,-12.9,;27.46,-13.81,;26.06,-13.18,;25.89,-11.64,)| Show InChI InChI=1S/C29H32N4O/c30-20-22-5-8-23-13-17-33(18-14-24(23)19-22)16-12-21-6-9-25(10-7-21)32-29(34)27-11-15-31-28-4-2-1-3-26(27)28/h1-5,8,11,15,19,21,25H,6-7,9-10,12-14,16-18H2,(H,32,34)/t21-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3 by displacement of [125I]iodosulpiride expressed in CHO cells				Bioorg Med Chem Lett 10: 2553-5 (2000) BindingDB Entry DOI: 10.7270/Q24Q7X55
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