Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50342719'   

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))	BDBM50342719 (2,4-dimethyl-5-(4-methyl-5-(3-(5-(4-(trifluorometh...) Show SMILES Cc1nc(C)c(s1)-c1nnc(SCCCN2CCC3(CC23)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C23H26F3N5S2/c1-14-19(33-15(2)27-14)20-28-29-21(30(20)3)32-12-4-10-31-11-9-22(13-18(22)31)16-5-7-17(8-6-16)23(24,25)26/h5-8,18H,4,9-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor				Bioorg Med Chem Lett 21: 2670-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.083 BindingDB Entry DOI: 10.7270/Q2GF0TT4
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