Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50218408'   

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))	BDBM50218408 (CHEMBL315209) Show SMILES Fc1ccccc1\C=C\C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1 |wU:12.12,wD:15.16,(27.05,-20.53,;27.84,-19.19,;29.38,-19.19,;30.15,-17.86,;29.38,-16.52,;27.84,-16.52,;27.07,-17.86,;25.51,-17.86,;24.74,-16.53,;23.2,-16.52,;22.43,-17.85,;22.45,-15.17,;20.91,-15.17,;20.14,-16.5,;18.58,-16.5,;17.81,-15.17,;16.27,-15.15,;15.52,-13.82,;13.98,-13.8,;13.31,-12.41,;11.81,-12.07,;10.62,-13.03,;9.29,-12.26,;7.94,-13.03,;7.94,-14.57,;9.29,-15.34,;10.62,-14.57,;11.81,-15.52,;13.31,-15.17,;6.6,-15.34,;5.26,-16.11,;18.58,-13.82,;20.14,-13.82,)| Show InChI InChI=1S/C28H32FN3O/c29-27-4-2-1-3-24(27)9-12-28(33)31-26-10-6-21(7-11-26)13-16-32-17-14-23-8-5-22(20-30)19-25(23)15-18-32/h1-5,8-9,12,19,21,26H,6-7,10-11,13-18H2,(H,31,33)/b12-9+/t21-,26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	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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