new BindingDB logo
myBDB logout

BDBM50300367 4aR,9aS-(+)-cis-4a-Ethyl-1,2,3,4,4a,9a-hexahydrobenzofuro-[2,3-c]pyridin-6-ol::CHEMBL566749

SMILES: CC[C@]12CCNC[C@H]1Oc1ccc(O)cc21

InChI Key: InChIKey=QJJMTVYVGDVVPA-CHWSQXEVSA-N

Data: 1 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 1 hit for monomerid = 50300367   
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))
BDBM50300367
PNG
(4aR,9aS-(+)-cis-4a-Ethyl-1,2,3,4,4a,9a-hexahydrobe...)
Show SMILES CC[C@]12CCNC[C@H]1Oc1ccc(O)cc21 |r|
Show InChI InChI=1S/C13H17NO2/c1-2-13-5-6-14-8-12(13)16-11-4-3-9(15)7-10(11)13/h3-4,7,12,14-15H,2,5-6,8H2,1H3/t12-,13-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.50E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells


J Med Chem 52: 7570-9 (2009)


Article DOI: 10.1021/jm9004225
BindingDB Entry DOI: 10.7270/Q2FF3SFM
More data for this
Ligand-Target Pair