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 = 'BDBM50070100'   

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))	BDBM50070100 (CHEMBL3408018) Show SMILES Cl.C1CN=C(Nc2cnc3CCCCc3c2)N1 |t:2| Show InChI InChI=1S/C12H16N4/c1-2-4-11-9(3-1)7-10(8-15-11)16-12-13-5-6-14-12/h7-8H,1-6H2,(H2,13,14,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry				J Med Chem 58: 963-77 (2015) Article DOI: 10.1021/jm501635e BindingDB Entry DOI: 10.7270/Q280549P
					More data for this Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50070100 (CHEMBL3408018) Show SMILES Cl.C1CN=C(Nc2cnc3CCCCc3c2)N1 |t:2| Show InChI InChI=1S/C12H16N4/c1-2-4-11-9(3-1)7-10(8-15-11)16-12-13-5-6-14-12/h7-8H,1-6H2,(H2,13,14,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.23E+3	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...				J Med Chem 58: 963-77 (2015) Article DOI: 10.1021/jm501635e BindingDB Entry DOI: 10.7270/Q280549P
					More data for this Ligand-Target Pair