Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50058020'   

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))	BDBM50058020 (4-[1-((E)-3-Iodo-allyl)-piperidin-4-ylmethoxy]-ben...) Show SMILES I\C=C\CN1CCC(COc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C16H19IN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h1-5,8,15H,6-7,9-11,13H2/b8-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ANSTO Curated by ChEMBL					Assay Description In vitro binding affinity for Dopamine receptor D2				J Med Chem 40: 1657-67 (1997) Article DOI: 10.1021/jm960720+ BindingDB Entry DOI: 10.7270/Q29G5KX8
					More data for this Ligand-Target Pair