Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50090311'   

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))	BDBM50090311 (CHEMBL435576 | N-[3-(4-Phenyl-piperazin-1-yl)-prop...) Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C29H35N3O/c1-23-9-13-25(14-10-23)28(26-15-11-24(2)12-16-26)29(33)30-17-6-18-31-19-21-32(22-20-31)27-7-4-3-5-8-27/h3-5,7-16,28H,6,17-22H2,1-2H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.				Bioorg Med Chem Lett 10: 1621-4 (2000) BindingDB Entry DOI: 10.7270/Q27W6BDJ
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