Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50100209'   

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 (Rattus norvegicus (Rat))	BDBM50100209 (3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccccc5c4=O)C[C@@H]3CCc12 Show InChI InChI=1S/C23H25N3O3/c1-29-21-8-4-6-16-17(21)10-9-15-13-25(14-19(15)16)11-12-26-22(27)18-5-2-3-7-20(18)24-23(26)28/h2-8,15,19H,9-14H2,1H3,(H,24,28)/t15-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland				J Med Chem 44: 1971-85 (2001) BindingDB Entry DOI: 10.7270/Q2KP81GH
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