BDBM50120475 CHEMBL148009::ethyl 1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexahydropyridine)]-3-carboxylate

SMILES: CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12

InChI Key: InChIKey=OYVHGIIMTHUYCL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50120475   

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))	BDBM50120475 (CHEMBL148009 | ethyl 1'-benzylspiro[1,3-dihydroiso...) Show SMILES CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H25NO3/c1-2-25-21(24)20-18-10-6-7-11-19(18)22(26-20)12-14-23(15-13-22)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutisches Institut der Universit£t Freiburg Curated by ChEMBL					Assay Description Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain				J Med Chem 45: 4923-30 (2002) BindingDB Entry DOI: 10.7270/Q2HH6KS2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50120475 (CHEMBL148009 | ethyl 1'-benzylspiro[1,3-dihydroiso...) Show SMILES CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H25NO3/c1-2-25-21(24)20-18-10-6-7-11-19(18)22(26-20)12-14-23(15-13-22)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutisches Institut der Universit£t Freiburg Curated by ChEMBL					Assay Description Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver				J Med Chem 45: 4923-30 (2002) BindingDB Entry DOI: 10.7270/Q2HH6KS2
					More data for this Ligand-Target Pair