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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 = 'BDBM50048103'   
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))
BDBM50048103
PNG
(CHEMBL3309509)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16+,20-,22-,23+/m0/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
BindingDB Entry DOI: 10.7270/Q2JM2C8P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048103
PNG
(CHEMBL3309509)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16+,20-,22-,23+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 709n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
BindingDB Entry DOI: 10.7270/Q2JM2C8P
More data for this
Ligand-Target Pair