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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 = 'BDBM50065353'   
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))
BDBM50065353
PNG
((S)-2-Amino-N-((6S,12R)-6-benzyl-1-methyl-5,8,11-t...)
Show SMILES CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C26H34N6O5/c1-32-12-11-28-25(36)21(14-17-5-3-2-4-6-17)30-23(34)15-29-26(37)22(16-32)31-24(35)20(27)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,27H2,1H3,(H,28,36)(H,29,37)(H,30,34)(H,31,35)/t20-,21-,22+/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
In vitro potency was measured against human Opioid receptor mu 1


J Med Chem 41: 2631-5 (1998)


Article DOI: 10.1021/jm970861r
BindingDB Entry DOI: 10.7270/Q21N81TP
More data for this
Ligand-Target Pair