Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50088389'   

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))	BDBM50088389 (2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1...) Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C33H39N5O4/c1-23(2)42-30-9-6-5-8-29(30)37-20-18-36(19-21-37)17-7-16-34-31(39)24-10-15-27-28(22-24)33(41)38(32(27)40)26-13-11-25(12-14-26)35(3)4/h5-6,8-15,22-23H,7,16-21H2,1-4H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.180	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