Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50181159'   

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))	BDBM50181159 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)NCC2CCCCC2)CC1 Show InChI InChI=1S/C25H41F3N6O/c1-24(2,3)22-31-20(25(26,27)28)17-21(32-22)34-15-13-33(14-16-34)12-8-7-11-29-23(35)30-18-19-9-5-4-6-10-19/h17,19H,4-16,18H2,1-3H3,(H2,29,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	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 cloned human dopamine D3 receptor				Bioorg Med Chem Lett 16: 1934-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.079 BindingDB Entry DOI: 10.7270/Q29S1QMG
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