Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50290091'   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50290091 ((S)-3-(2-Adamantan-2-yl-ethyl)-1,8,8-trimethyl-3-a...) Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1C3CC4CC(C3)CC1C4)C2 |wD:6.7,TLB:11:12:14:17.18.16,THB:16:15:12:17.18.19,16:17:12:15.14.21,10:9:1:5.4,11:12:15.14.21:17.18.19,19:20:14:17.18.16,19:17:14:20.12.21,(-7.25,2.8,;-5.75,2.79,;-6.14,4.25,;-4.39,2.21,;-4,.76,;-4.93,-.34,;-4.93,1.16,;-6.43,1.16,;-2.69,2.13,;-1.35,1.44,;-.27,.4,;1.17,.82,;2.25,-.23,;2.88,-1.98,;2.25,-3.46,;3.36,-4.49,;5,-4.47,;5.66,-2.93,;4.41,-2.03,;5.18,-1.24,;3.56,-1.24,;2.87,-2.78,;-2.32,3.17,)| Show InChI InChI=1S/C22H37N/c1-21(2)19-4-6-22(21,3)14-23(13-19)7-5-20-17-9-15-8-16(11-17)12-18(20)10-15/h15-20H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1				Bioorg Med Chem Lett 7: 2303-2306 (1997) Article DOI: 10.1016/S0960-894X(97)00417-4 BindingDB Entry DOI: 10.7270/Q2319VVV
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