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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 = 'BDBM50066344'   
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)
BDBM50066344
PNG
(CHEMBL2419116)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(n1)C#N)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H30N4O4/c32-15-23-20-4-2-1-3-18(20)13-22(33-23)29(37)34-21-9-10-31(38)25-14-19-7-8-24(36)27-26(19)30(31,28(21)39-27)11-12-35(25)16-17-5-6-17/h1-4,7-8,13,17,21,25,28,36,38H,5-6,9-12,14,16H2,(H,34,37)/t21-,25+,28-,30-,31+/s2
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.990n/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)
BDBM50066344
PNG
(CHEMBL2419116)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2c(n1)C#N)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H30N4O4/c32-15-23-20-4-2-1-3-18(20)13-22(33-23)29(37)34-21-9-10-31(38)25-14-19-7-8-24(36)27-26(19)30(31,28(21)39-27)11-12-35(25)16-17-5-6-17/h1-4,7-8,13,17,21,25,28,36,38H,5-6,9-12,14,16H2,(H,34,37)/t21-,25+,28-,30-,31+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.30n/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