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 = 'BDBM50171007'   

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))	BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) Show SMILES Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2 |TLB:4:15:21:19.18| Show InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.190	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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