Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50084999'   

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 (Homo sapiens (Human))	BDBM50084999 (4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-tetrahyd...) Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22| Show InChI InChI=1S/C26H26F2N6O6/c27-17-7-6-16(14-18(17)28)23-22-19(15-40-24(22)35)30-26(37)33(23)25(36)29-8-3-9-31-10-12-32(13-11-31)20-4-1-2-5-21(20)34(38)39/h1-2,4-7,14,23H,3,8-13,15H2,(H,29,36)(H,30,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 10: 175-8 (2000) BindingDB Entry DOI: 10.7270/Q2N29W5M
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