Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50038419'   

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))	BDBM50038419 (CHEMBL50112 | N-(1-Benzyl-piperidin-4-yl)-4-iodo-b...) Show SMILES Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
George Washington University Medical Center Curated by ChEMBL					Assay Description Binding affinity against sigma-1 receptor in guinea pig brain using [3H]-(+)-pentazocine as radioligand.				J Med Chem 37: 1737-9 (1994) BindingDB Entry DOI: 10.7270/Q2VX0FJ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50038419 (CHEMBL50112 | N-(1-Benzyl-piperidin-4-yl)-4-iodo-b...) Show SMILES Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor determined as pA2 in guinea pig trachea				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50038419 (CHEMBL50112 | N-(1-Benzyl-piperidin-4-yl)-4-iodo-b...) Show SMILES Ic1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114649 BindingDB Entry DOI: 10.7270/Q2F47T3Z
					More data for this Ligand-Target Pair				3D Structure (crystal)