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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50375379'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50375379
PNG
(CHEMBL260519)
Show SMILES CCN(CC)C(=O)c1ccc(CN2C[C@H]3CC=C([C@@H]2CN3CC=C)c2ccccc2)cc1 |wU:18.18,wD:14.21,c:16,TLB:24:17:20.19:13.12,11:12:20.19:15.16.17,THB:21:20:13.12:15.16.17,(-7.97,-38.58,;-6.63,-37.81,;-5.3,-38.58,;-5.3,-40.12,;-6.63,-40.89,;-3.97,-37.82,;-3.97,-36.27,;-2.64,-38.58,;-2.64,-40.13,;-1.31,-40.9,;.02,-40.13,;1.36,-40.9,;2.73,-40.2,;3.78,-39.02,;5.37,-39.07,;6.35,-40.4,;5.89,-41.97,;5.32,-40.73,;4.02,-40.08,;4.86,-38.45,;6.06,-37.71,;7.1,-36.59,;8.61,-36.92,;9.65,-35.8,;4.23,-41.83,;2.73,-41.37,;1.65,-42.46,;2,-43.94,;3.49,-44.38,;4.58,-43.3,;.02,-38.58,;-1.31,-37.82,)|
Show InChI InChI=1S/C28H35N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h4,7-15,17,25,27H,1,5-6,16,18-21H2,2-3H3/t25-,27+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human mu opioid receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 2870-85 (2008)


Article DOI: 10.1016/j.bmc.2008.01.004
BindingDB Entry DOI: 10.7270/Q2416XXR
More data for this
Ligand-Target Pair