Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit beta-3' and Ligand = 'BDBM50214673'   

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
Gamma-aminobutyric acid receptor subunit beta-3 (Homo sapiens (Human))	BDBM50214673 (1-(2,6-dichloro-4-trifluoromethylphenyl)-5-hydroxy...) Show SMILES CCCc1nnn(c1CO)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.18,-26.58,;1.93,-25.67,;2.1,-24.14,;.85,-23.23,;.86,-21.69,;-.61,-21.21,;-1.51,-22.46,;-.61,-23.7,;-1.09,-25.17,;-.06,-26.31,;-3.05,-22.45,;-3.81,-23.79,;-3.04,-25.12,;-5.35,-23.79,;-6.12,-22.45,;-5.35,-21.12,;-3.81,-21.12,;-3.04,-19.79,;-7.66,-22.45,;-9.22,-22.52,;-7.7,-20.91,;-7.61,-23.99,)| Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
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