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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 = 'BDBM50128073'   
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))
BDBM50128073
PNG
(CHEMBL2369365 | 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]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C61H101N23O11/c1-5-35(4)48(57(95)80-42(18-11-27-74-60(68)69)51(89)77-40(49(63)87)16-9-25-72-58(64)65)83-53(91)43(19-12-28-75-61(70)71)78-52(90)41(17-10-26-73-59(66)67)79-54(92)44(30-34(2)3)81-55(93)45(32-36-14-7-6-8-15-36)82-56(94)46-20-13-29-84(46)47(86)33-76-50(88)39(62)31-37-21-23-38(85)24-22-37/h6-8,14-15,21-24,34-35,39-46,48,85H,5,9-13,16-20,25-33,62H2,1-4H3,(H2,63,87)(H,76,88)(H,77,89)(H,78,90)(H,79,92)(H,80,95)(H,81,93)(H,82,94)(H,83,91)(H4,64,65,72)(H4,66,67,73)(H4,68,69,74)(H4,70,71,75)/t35-,39-,40+,41-,42-,43-,44-,45-,46?,48-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.34E+3n/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