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 = 'BDBM50476629'   

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))	BDBM50476629 (4,4''-Di(2-Imidazolidinylimino)Diphenyl Ether | CH...) Show SMILES C1CN=C(Nc2ccc(Oc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15| Show InChI InChI=1S/C18H20N6O/c1-5-15(6-2-13(1)23-17-19-9-10-20-17)25-16-7-3-14(4-8-16)24-18-21-11-12-22-18/h1-8H,9-12H2,(H2,19,20,23)(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dublin Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex				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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50476629 (4,4''-Di(2-Imidazolidinylimino)Diphenyl Ether | CH...) Show SMILES C1CN=C(Nc2ccc(Oc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15| Show InChI InChI=1S/C18H20N6O/c1-5-15(6-2-13(1)23-17-19-9-10-20-17)25-16-7-3-14(4-8-16)24-18-21-11-12-22-18/h1-8H,9-12H2,(H2,19,20,23)(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+5	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