Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50107092'   

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))	BDBM50107092 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H33Cl2F2N3/c1-21-19-34(20-22(2)35(21)17-14-23-4-13-28(30)29(31)18-23)15-3-16-36(26-9-5-24(32)6-10-26)27-11-7-25(33)8-12-27/h4-13,18,21-22H,3,14-17,19-20H2,1-2H3/t21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50107092 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H33Cl2F2N3/c1-21-19-34(20-22(2)35(21)17-14-23-4-13-28(30)29(31)18-23)15-3-16-36(26-9-5-24(32)6-10-26)27-11-7-25(33)8-12-27/h4-13,18,21-22H,3,14-17,19-20H2,1-2H3/t21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Binding affinity against sSigma receptor type 2 was determined by the displacement of [3H]DTG/dextrallorphan radioligand				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
					More data for this Ligand-Target Pair