Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50176439'   

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))	BDBM50176439 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3ccccc3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O/c1-26(2,3)25-31-22(27(28,29)30)19-23(32-25)34-17-15-33(16-18-34)13-6-7-14-35-21-11-5-4-9-20(21)10-8-12-24(35)36/h4-5,9,11,19H,6-8,10,12-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	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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