Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50177347'   

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))	BDBM50177347 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCn2cc(Cl)c(=O)[nH]c2=O)CC1 Show InChI InChI=1S/C21H28ClF3N6O2/c1-20(2,3)18-26-15(21(23,24)25)12-16(27-18)30-10-8-29(9-11-30)6-4-5-7-31-13-14(22)17(32)28-19(31)33/h12-13H,4-11H2,1-3H3,(H,28,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	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: 490-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.068 BindingDB Entry DOI: 10.7270/Q2TH8M89
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