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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM71581'   
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))
BDBM71581
PNG
(KSC-5-280C | KUC104162N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN3O3S/c1-20(2)31(19-23-8-12-25(28)13-9-23)17-16-29-27(32)24-10-6-22(7-11-24)18-30-35(33,34)26-14-4-21(3)5-15-26/h4-15,20,30H,16-19H2,1-3H3,(H,29,32)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71581
PNG
(KSC-5-280C | KUC104162N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN3O3S/c1-20(2)31(19-23-8-12-25(28)13-9-23)17-16-29-27(32)24-10-6-22(7-11-24)18-30-35(33,34)26-14-4-21(3)5-15-26/h4-15,20,30H,16-19H2,1-3H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26Q1VQV
More data for this
Ligand-Target Pair