Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50061329'   

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))	BDBM50061329 ((3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-ami...) Show SMILES Cc1ccc(OCCNCCCSc2ccccc2)cc1 Show InChI InChI=1S/C18H23NOS/c1-16-8-10-17(11-9-16)20-14-13-19-12-5-15-21-18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against cloned human dopamine receptor D2 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.				J Med Chem 40: 4026-9 (1998) Article DOI: 10.1021/jm970422s BindingDB Entry DOI: 10.7270/Q22J69Z9
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