Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50514245'   

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))	BDBM50514245 (CHEMBL4461774) Show SMILES Fc1ccccc1CCN1CCC2(CC1)CN(C(=O)C1(CC1)O2)c1cccnc1C(F)(F)F Show InChI InChI=1S/C24H25F4N3O2/c25-18-5-2-1-4-17(18)7-13-30-14-10-22(11-15-30)16-31(21(32)23(33-22)8-9-23)19-6-3-12-29-20(19)24(26,27)28/h1-6,12H,7-11,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE Pharmaceuticals SA Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...				J Med Chem 63: 2434-2454 (2020) Article DOI: 10.1021/acs.jmedchem.9b01256 BindingDB Entry DOI: 10.7270/Q2PZ5D5K
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50514245 (CHEMBL4461774) Show SMILES Fc1ccccc1CCN1CCC2(CC1)CN(C(=O)C1(CC1)O2)c1cccnc1C(F)(F)F Show InChI InChI=1S/C24H25F4N3O2/c25-18-5-2-1-4-17(18)7-13-30-14-10-22(11-15-30)16-31(21(32)23(33-22)8-9-23)19-6-3-12-29-20(19)24(26,27)28/h1-6,12H,7-11,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 3H](+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation count...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01127 BindingDB Entry DOI: 10.7270/Q2PC35ZC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50514245 (CHEMBL4461774) Show SMILES Fc1ccccc1CCN1CCC2(CC1)CN(C(=O)C1(CC1)O2)c1cccnc1C(F)(F)F Show InChI InChI=1S/C24H25F4N3O2/c25-18-5-2-1-4-17(18)7-13-30-14-10-22(11-15-30)16-31(21(32)23(33-22)8-9-23)19-6-3-12-29-20(19)24(26,27)28/h1-6,12H,7-11,13-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	175	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