Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50176449'   

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))	BDBM50176449 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES C\C(CN1C(=O)CCc2ccccc12)=C/CN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H34F3N5O/c1-19(18-35-21-8-6-5-7-20(21)9-10-24(35)36)11-12-33-13-15-34(16-14-33)23-17-22(27(28,29)30)31-25(32-23)26(2,3)4/h5-8,11,17H,9-10,12-16,18H2,1-4H3/b19-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 658-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.035 BindingDB Entry DOI: 10.7270/Q2K64HN6
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