Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50120939'   

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))	BDBM50120939 ((1-Benzyl-piperidin-4-yl)-(8-chloro-11H-benzo[e]py...) Show SMILES Clc1ccc2Nc3ncccc3N=C(NC3CCN(Cc4ccccc4)CC3)c2c1 |t:13| Show InChI InChI=1S/C24H24ClN5/c25-18-8-9-21-20(15-18)23(29-22-7-4-12-26-24(22)28-21)27-19-10-13-30(14-11-19)16-17-5-2-1-3-6-17/h1-9,12,15,19H,10-11,13-14,16H2,(H,26,28)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9 cell membranes				J Med Chem 45: 5136-49 (2002) BindingDB Entry DOI: 10.7270/Q2571BC1
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