BDBM50108664 1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(hexahydropyridine)]::CHEMBL138083

SMILES: C(N1CCC2(CC1)OCCc1ccccc21)c1ccccc1

InChI Key: InChIKey=XEDYSHNIVSNKMV-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108664   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50108664 (1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...) Show SMILES C(N1CCC2(CC1)OCCc1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20/h1-9H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL					Assay Description Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand.				J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH
					More data for this Ligand-Target Pair
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50108664 (1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...) Show SMILES C(N1CCC2(CC1)OCCc1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20/h1-9H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig brain membranes after 150 mins by liquid scintillation countin...				J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108664 (1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...) Show SMILES C(N1CCC2(CC1)OCCc1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20/h1-9H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes				Bioorg Med Chem 22: 4277-84 (2014) Article DOI: 10.1016/j.bmc.2014.05.033 BindingDB Entry DOI: 10.7270/Q29C702R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50108664 (1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...) Show SMILES C(N1CCC2(CC1)OCCc1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20/h1-9H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL					Assay Description Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand				J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH
					More data for this Ligand-Target Pair