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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 = 'BDBM50066277'   
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


(MOUSE)
BDBM50066277
PNG
(CHEMBL2419119)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H35N3O4/c36-25-9-7-21-16-26-32(38)12-11-24(34-27(37)10-8-23-15-20-3-1-2-4-22(20)17-33-23)30-31(32,28(21)29(25)39-30)13-14-35(26)18-19-5-6-19/h1-4,7,9,15,17,19,24,26,30,36,38H,5-6,8,10-14,16,18H2,(H,34,37)/t24-,26+,30-,31-,32+/s2
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50066277
PNG
(CHEMBL2419119)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H35N3O4/c36-25-9-7-21-16-26-32(38)12-11-24(34-27(37)10-8-23-15-20-3-1-2-4-22(20)17-33-23)30-31(32,28(21)29(25)39-30)13-14-35(26)18-19-5-6-19/h1-4,7,9,15,17,19,24,26,30,36,38H,5-6,8,10-14,16,18H2,(H,34,37)/t24-,26+,30-,31-,32+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Stimulation of mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay


Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair