Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50421929'   

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))	BDBM50421929 (CHEMBL544987) Show SMILES C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:19.27,21.25,wD:4.3,13.13,15.28,17.26,TLB:22:21:23:17.16.18,22:17:23:14.21.20,THB:2:14:23:17.16.18,(4.25,1.05,;2.97,.26,;1.6,1.04,;1.59,2.58,;2.93,3.36,;2.92,4.88,;4.24,5.64,;5.62,4.85,;6.9,5.66,;8.23,4.9,;8.24,3.34,;6.9,2.58,;5.57,3.35,;4.3,2.57,;.23,.31,;.24,-1.24,;-1.09,-1.63,;-2.6,-1.09,;-3.75,-2.4,;-2.14,-1.95,;-2.14,-.19,;-1.09,.98,;-2.6,.37,;-.78,-2.5,)| Show InChI InChI=1S/C23H31N/c1-2-4-21-17(3-1)5-6-18-14-24(8-7-22(18)21)23-19-10-15-9-16(12-19)13-20(23)11-15/h1-4,15-16,18-20,22-23H,5-14H2/t15-,16+,18-,19-,20+,22+,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum				J Med Chem 35: 2025-33 (1992) BindingDB Entry DOI: 10.7270/Q2MP54K8
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