BDBM50082624 (2R,6R,11R)-3-Benzyl-11-ethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine::CHEMBL139900

SMILES: CC[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1

InChI Key: InChIKey=GRPFNZUEASKUTO-HMXCVIKNSA-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 = 50082624   

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))	BDBM50082624 ((2R,6R,11R)-3-Benzyl-11-ethyl-1,2,3,4,5,6-hexahydr...) Show SMILES CC[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1 |TLB:15:14:2:10.4.5| Show InChI InChI=1S/C21H25N/c1-2-18-20-12-13-22(15-16-8-4-3-5-9-16)21(18)14-17-10-6-7-11-19(17)20/h3-11,18,20-21H,2,12-15H2,1H3/t18-,20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity against Sigma opioid receptor type 1 using [3H]-(+)-Pentazocine in guinea pig brain membranes				J Med Chem 42: 4621-9 (1999) BindingDB Entry DOI: 10.7270/Q2T43SBK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50082624 ((2R,6R,11R)-3-Benzyl-11-ethyl-1,2,3,4,5,6-hexahydr...) Show SMILES CC[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1 |TLB:15:14:2:10.4.5| Show InChI InChI=1S/C21H25N/c1-2-18-20-12-13-22(15-16-8-4-3-5-9-16)21(18)14-17-10-6-7-11-19(17)20/h3-11,18,20-21H,2,12-15H2,1H3/t18-,20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity against Sigma opioid receptor type 2 using [3H]- DTG in rat liver membranes				J Med Chem 42: 4621-9 (1999) BindingDB Entry DOI: 10.7270/Q2T43SBK
					More data for this Ligand-Target Pair