Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50064187'   

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 (Cavia porcellus (Guinea pig))	BDBM50064187 ((2S,6R,11S)-3-(2-Azepan-1-yl-ethyl)-6,11-dimethyl-...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H34N2O/c1-17-21-15-18-7-8-19(25)16-20(18)22(17,2)9-12-24(21)14-13-23-10-5-3-4-6-11-23/h7-8,16-17,21,25H,3-6,9-15H2,1-2H3/t17-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50064187 ((2S,6R,11S)-3-(2-Azepan-1-yl-ethyl)-6,11-dimethyl-...) Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C22H34N2O/c1-17-21-15-18-7-8-19(25)16-20(18)22(17,2)9-12-24(21)14-13-23-10-5-3-4-6-11-23/h7-8,16-17,21,25H,3-6,9-15H2,1-2H3/t17-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes				J Med Chem 41: 1574-80 (1998) Article DOI: 10.1021/jm970333f BindingDB Entry DOI: 10.7270/Q2C24X3R
					More data for this Ligand-Target Pair