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 = 'BDBM50007168'   

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))	BDBM50007168 (CHEMBL27098 | Pentanoic acid {4-[4-(2-methoxy-phen...) Show SMILES CCCCC(=O)NCCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C20H33N3O2/c1-3-4-11-20(24)21-12-7-8-13-22-14-16-23(17-15-22)18-9-5-6-10-19(18)25-2/h5-6,9-10H,3-4,7-8,11-17H2,1-2H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards alpha-1 adrenergic receptor of rat frontal cortex using [3H]- WB- 4101 as a radioligand				J Med Chem 34: 2633-8 (1991) BindingDB Entry DOI: 10.7270/Q2833R0C
					More data for this Ligand-Target Pair