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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 = 'BDBM50128079'   
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))
BDBM50128079
PNG
(CHEMBL2369393 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-Ar...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C66H107N21O13/c1-5-39(4)53(61(97)81-46(21-13-31-77-66(73)74)62(98)87-33-15-23-51(87)60(96)82-47(63(99)100)18-9-10-28-67)85-56(92)45(20-12-30-76-65(71)72)79-55(91)44(19-11-29-75-64(69)70)80-57(93)48(34-38(2)3)83-58(94)49(36-40-16-7-6-8-17-40)84-59(95)50-22-14-32-86(50)52(89)37-78-54(90)43(68)35-41-24-26-42(88)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,88H,5,9-15,18-23,28-37,67-68H2,1-4H3,(H,78,90)(H,79,91)(H,80,93)(H,81,97)(H,82,96)(H,83,94)(H,84,95)(H,85,92)(H,99,100)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t39-,43-,44-,45-,46-,47-,48-,49-,50?,51+,53-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.51E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair