Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50222082'   

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-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50222082 (CHEMBL544315) Show SMILES Cl.Cc1c(NC2=NCCN2)cccc1-c1cccc(c1)C#N |t:4| Show InChI InChI=1S/C17H16N4/c1-12-15(14-5-2-4-13(10-14)11-18)6-3-7-16(12)21-17-19-8-9-20-17/h2-7,10H,8-9H2,1H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Affinity for Alpha-1 adrenergic receptor of rat cortical membranes				Bioorg Med Chem Lett 13: 269-71 (2003) BindingDB Entry DOI: 10.7270/Q2GQ7108
					More data for this Ligand-Target Pair