Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50176026'   

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))	BDBM50176026 (8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2,...) Show SMILES CC1(C)Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C25H30N4O2/c1-25(2)24(30)27-21-10-5-11-22(23(21)31-25)29-15-13-28(14-16-29)12-6-7-18-17-26-20-9-4-3-8-19(18)20/h3-5,8-11,17,26H,6-7,12-16H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description In vitro inhibitory constant against [3H]-spiperone binding to human dopamine D2 receptor expressed in CHO cells				J Med Chem 48: 6855-69 (2005) Article DOI: 10.1021/jm050148z BindingDB Entry DOI: 10.7270/Q21C1WFP
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