Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50100206'   

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))	BDBM50100206 (6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahy...) Show SMILES COc1cc2n(C)c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC Show InChI InChI=1S/C26H31N3O5/c1-27-21-13-24(34-4)23(33-3)12-19(21)25(30)29(26(27)31)11-10-28-14-16-8-9-18-17(20(16)15-28)6-5-7-22(18)32-2/h5-7,12-13,16,20H,8-11,14-15H2,1-4H3/t16-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	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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