Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50088391'   

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 adrenergic receptor (Homo sapiens (Human))	BDBM50088391 (1,3-Dioxo-2-(3,4,5-trimethoxy-phenyl)-2,3-dihydro-...) Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C Show InChI InChI=1S/C34H40N4O8/c1-21(2)46-28-9-7-6-8-27(28)37-14-12-36(13-15-37)20-24(39)19-35-32(40)22-10-11-25-26(16-22)34(42)38(33(25)41)23-17-29(43-3)31(45-5)30(18-23)44-4/h6-11,16-18,21,24,39H,12-15,19-20H2,1-5H3,(H,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand				J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20
					More data for this Ligand-Target Pair