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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 = 'BDBM50142702'   
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))
BDBM50142702
PNG
(CHEMBL3758231)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)=O |r|
Show InChI InChI=1/C71H97N13O10/c1-45-35-55(86)36-46(2)56(45)42-57(73)64(87)79-60(26-16-32-78-71(75)76)66(89)81-61(38-47-17-6-3-7-18-47)67(90)80-59(25-14-15-31-72)65(88)77-33-34-83(63(40-49-21-10-5-11-22-49)68(91)82-62(70(93)94)39-48-19-8-4-9-20-48)44-53-41-51-23-12-13-24-52(51)43-84(53)69(92)58(74)37-50-27-29-54(85)30-28-50/h3,5-7,10-13,17-18,21-24,27-30,35-36,48,53,57-63,85-86H,4,8-9,14-16,19-20,25-26,31-34,37-44,72-74H2,1-2H3,(H,77,88)(H,79,87)(H,80,90)(H,81,89)(H,82,91)(H,93,94)(H4,75,76,78)/t53?,57-,58-,59-,60+,61-,62?,63-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
14n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair