BindingDB logo
myBDB logout

BDBM50001029 3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol; hydrochloride::CHEMBL2368614

SMILES: Cl.[H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1Cc1ccccc1)[C@H]2C

InChI Key: InChIKey=PGPLDSIZULSXAR-AUASKDNXSA-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 = 50001029   
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


(Rattus norvegicus (rat))		BDBM50001029
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES Cl.[H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1Cc1ccccc1)[C@H]2C |r,THB:16:15:23:10.4.3,9:10:23:15.13.14|
Show InChI InChI=1S/C21H25NO.ClH/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16;/h3-9,13,15,20,23H,10-12,14H2,1-2H3;1H/t15-,20+,21-;/m0./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 97n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.

J Med Chem 35: 2812-8 (1992)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair