Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50122810'   

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-1B adrenergic receptor (C.H.O.)	BDBM50122810 (3-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]tr...) Show SMILES Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN6/c1-30-17-28-25(29-30)19-3-8-24-22(15-19)23(16-32(24)21-6-4-20(26)5-7-21)18-9-13-31(14-10-18)12-2-11-27/h3-8,15-18H,2,9-10,12-14H2,1H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells				J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV
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