Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50544082'   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50544082 (CHEMBL4649012) Show SMILES COc1cc2CCN(CC=C)CC(c3ccccc3Br)c2cc1O Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-14-11-20(24-2)19(23)12-16(14)17(13-22)15-6-4-5-7-18(15)21/h3-7,11-12,17,23H,1,8-10,13H2,2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127305 BindingDB Entry DOI: 10.7270/Q2377D85
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