Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50176447'   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50176447 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(C\C=C\CN2C(=O)CCc3ccccc23)CC1 Show InChI InChI=1S/C26H32F3N5O/c1-25(2,3)24-30-21(26(27,28)29)18-22(31-24)33-16-14-32(15-17-33)12-6-7-13-34-20-9-5-4-8-19(20)10-11-23(34)35/h4-9,18H,10-17H2,1-3H3/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	254	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 D2 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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