Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM29563'   

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 (Rattus norvegicus (rat))	BDBM29563 (1-(m-trifluorophenyl)piperazine, 10) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2=C(CCCC2)C1=O |t:28,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-4.98,7.22,;-6.32,6.45,;-7.65,7.21,;-7.65,8.75,;-6.32,9.53,;-3.52,6.74,;-3.12,5.25,)| Show InChI InChI=1S/C25H30F3N3O2/c26-25(27,28)17-4-3-5-20(16-17)30-14-12-29(13-15-30)18-8-10-19(11-9-18)31-23(32)21-6-1-2-7-22(21)24(31)33/h3-5,16,18-19H,1-2,6-15H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Polish Academy of Science					Assay Description Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...				Bioorg Med Chem 15: 7116-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.029 BindingDB Entry DOI: 10.7270/Q2G15Z6G
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