Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)' and Ligand = 'BDBM50395219'   

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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM50395219 (CHEMBL2164665 | US9150581, RTI-7527-193) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C17H18FN3O2S/c18-17-15(10-1-4-13(5-2-10)24(19,22)23)7-11(9-20-17)14-8-12-3-6-16(14)21-12/h1-2,4-5,7,9,12,14,16,21H,3,6,8H2,(H2,19,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY US Patent					Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...				US Patent US9150581 (2015) BindingDB Entry DOI: 10.7270/Q2319TNR
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