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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 = 'BDBM50027243'   
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))
BDBM50027243
PNG
(CHEMBL2113306)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(C)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H36N2O4/c1-19-4-6-20(7-5-19)8-11-25(35)32-18-22-17-29-12-13-31(22,36-3)28-30(29)14-15-33(2)24(29)16-21-9-10-23(34)27(37-28)26(21)30/h4-11,22,24,28,34H,12-18H2,1-3H3,(H,32,35)/b11-8+/t22-,24-,28-,29-,30+,31+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human cloned mu opioid receptor


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027243
PNG
(CHEMBL2113306)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51CC[C@]2(OC)[C@@H](CNC(=O)\C=C\c2ccc(C)cc2)C1)ccc3O |THB:10:9:5.4.6:14|
Show InChI InChI=1S/C31H36N2O4/c1-19-4-6-20(7-5-19)8-11-25(35)32-18-22-17-29-12-13-31(22,36-3)28-30(29)14-15-33(2)24(29)16-21-9-10-23(34)27(37-28)26(21)30/h4-11,22,24,28,34H,12-18H2,1-3H3,(H,32,35)/b11-8+/t22-,24-,28-,29-,30+,31+/m1/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 16n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 5176-82 (2007)


Article DOI: 10.1021/jm070255o
BindingDB Entry DOI: 10.7270/Q2RR202P
More data for this
Ligand-Target Pair