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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 = 'BDBM50066278'   
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)
BDBM50066278
PNG
(CHEMBL2419120)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H34N4O5/c37-24-8-7-20-14-25-32(40)10-9-22(29-31(32,27(20)28(24)41-29)11-12-36(25)17-18-5-6-18)35-26(38)16-34-30(39)23-13-19-3-1-2-4-21(19)15-33-23/h1-4,7-8,13,15,18,22,25,29,37,40H,5-6,9-12,14,16-17H2,(H,34,39)(H,35,38)/t22-,25+,29-,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
2.70n/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)
BDBM50066278
PNG
(CHEMBL2419120)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CNC(=O)c1cc2ccccc2cn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H34N4O5/c37-24-8-7-20-14-25-32(40)10-9-22(29-31(32,27(20)28(24)41-29)11-12-36(25)17-18-5-6-18)35-26(38)16-34-30(39)23-13-19-3-1-2-4-21(19)15-33-23/h1-4,7-8,13,15,18,22,25,29,37,40H,5-6,9-12,14,16-17H2,(H,34,39)(H,35,38)/t22-,25+,29-,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 14n/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