BDBM50079278 (4aR,6R,7R,8aR)-1-((E)-3-Iodo-allyl)-7-(4-phenyl-piperidin-1-yl)-decahydro-quinolin-6-ol::CHEMBL95701::trans-trans-1-(3-iodoallyl)-7-(4-phenylpiperidin-1-yl)-decahydroquinolin-6-ol

SMILES: O[C@@H]1C[C@H]2CCCN(C\C=C\I)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1

InChI Key: InChIKey=CBDLIWLUTNCDTQ-WMCIRHBQSA-N

Data: 3 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 3 hits for monomerid = 50079278   

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
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50079278 ((4aR,6R,7R,8aR)-1-((E)-3-Iodo-allyl)-7-(4-phenyl-p...) Show SMILES O[C@@H]1C[C@H]2CCCN(C\C=C\I)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H33IN2O/c24-11-5-13-25-12-4-8-20-16-23(27)22(17-21(20)25)26-14-9-19(10-15-26)18-6-2-1-3-7-18/h1-3,5-7,11,19-23,27H,4,8-10,12-17H2/b11-5+/t20-,21-,22-,23-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50079278 ((4aR,6R,7R,8aR)-1-((E)-3-Iodo-allyl)-7-(4-phenyl-p...) Show SMILES O[C@@H]1C[C@H]2CCCN(C\C=C\I)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H33IN2O/c24-11-5-13-25-12-4-8-20-16-23(27)22(17-21(20)25)26-14-9-19(10-15-26)18-6-2-1-3-7-18/h1-3,5-7,11,19-23,27H,4,8-10,12-17H2/b11-5+/t20-,21-,22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Sigma opioid receptor type 1 in guinea pig brain membranes using [3H](+)-pentazocine as radioligand				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50079278 ((4aR,6R,7R,8aR)-1-((E)-3-Iodo-allyl)-7-(4-phenyl-p...) Show SMILES O[C@@H]1C[C@H]2CCCN(C\C=C\I)[C@@H]2C[C@H]1N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C23H33IN2O/c24-11-5-13-25-12-4-8-20-16-23(27)22(17-21(20)25)26-14-9-19(10-15-26)18-6-2-1-3-7-18/h1-3,5-7,11,19-23,27H,4,8-10,12-17H2/b11-5+/t20-,21-,22-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity against Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG (DuPont-NEN) as radioligand in the presence of (+)-pentazo...				J Med Chem 42: 2862-9 (1999) Article DOI: 10.1021/jm980560x BindingDB Entry DOI: 10.7270/Q2542MS2
					More data for this Ligand-Target Pair