Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor' and Ligand = 'BDBM50095890'   

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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50095890 (2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...) Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prestwick Chemical Inc. Curated by ChEMBL					Assay Description Inhibition of currents elicited by GABA at EC5 (6-12 uM)				J Med Chem 47: 1303-14 (2004) Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5
					More data for this Ligand-Target Pair