BindingDB logo
myBDB logout

null

SMILES: COCCN[C@@H]1[C@H](CCc2ccccc12)c1ccsc1

InChI Key: InChIKey=XFZOACPROGGFGC-SJORKVTESA-N

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 1 hit for monomerid = 50276624   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50276624
PNG
((1R,2R)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...)
Show SMILES COCCN[C@@H]1[C@H](CCc2ccccc12)c1ccsc1 |r|
Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 772n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor

Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W
More data for this
Ligand-Target Pair