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BDBM50001042 6,11-Dimethyl-3-(4-phenyl-butyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL2367788

SMILES: [H][C@@]12Cc3ccc(O)cc3[C@](C)(CCN1CCCCc1ccccc1)[C@@H]2C

InChI Key: InChIKey=FEIUXVBTPHDNEO-PUZWTLIVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50001042   
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))		BDBM50001042
PNG
(6,11-Dimethyl-3-(4-phenyl-butyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@@]12Cc3ccc(O)cc3[C@](C)(CCN1CCCCc1ccccc1)[C@@H]2C |THB:8:9:25:14.12.13,15:14:25:9.3.2|
Show InChI InChI=1S/C24H31NO/c1-18-23-16-20-11-12-21(26)17-22(20)24(18,2)13-15-25(23)14-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-12,17-18,23,26H,6-7,10,13-16H2,1-2H3/t18-,23+,24-/m1/s1
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 270n/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