Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50139857'   

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))	BDBM50139857 (CHEMBL3765422) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cncc(c1)C(N)=O Show InChI InChI=1S/C23H25F3N6O2S/c1-31-21(17-11-16(20(27)33)12-28-13-17)29-30-22(31)35-10-2-7-32-8-9-34-19(14-32)15-3-5-18(6-4-15)23(24,25)26/h3-6,11-13,19H,2,7-10,14H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D2 receptor after 45 mins by microplate scintillation counting analysis				Bioorg Med Chem Lett 26: 1329-32 (2016) Article DOI: 10.1016/j.bmcl.2015.12.081 BindingDB Entry DOI: 10.7270/Q2HM5B83
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