Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50036874'   

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 (CALF)	BDBM50036874 (4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...) Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex				J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ
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