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 = 'BDBM50226841'   

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))	BDBM50226841 (CHEMBL266927) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C16H21N5O3/c1-23-12-7-10-11(8-13(12)24-2)19-16(20-14(10)17)21-5-3-9(4-6-21)15(18)22/h7-9H,3-6H2,1-2H3,(H2,18,22)(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair