Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor' and Ligand = 'BDBM50213214'   

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))	BDBM50213214 (CHEMBL42139) Show SMILES C1CN=C(Nc2ccc3OCCOc3c2)N1 |t:2| Show InChI InChI=1S/C11H13N3O2/c1-2-9-10(16-6-5-15-9)7-8(1)14-11-12-3-4-13-11/h1-2,7H,3-6H2,(H2,12,13,14)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6F1V
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50213214 (CHEMBL42139) Show SMILES C1CN=C(Nc2ccc3OCCOc3c2)N1 |t:2| Show InChI InChI=1S/C11H13N3O2/c1-2-9-10(16-6-5-15-9)7-8(1)14-11-12-3-4-13-11/h1-2,7H,3-6H2,(H2,12,13,14)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.64E+4	n/a	n/a	n/a	n/a
University of Dublin Curated by ChEMBL					Assay Description Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay				J Med Chem 50: 4516-27 (2007) Article DOI: 10.1021/jm070229q BindingDB Entry DOI: 10.7270/Q2571FSN
					More data for this Ligand-Target Pair