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SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O

InChI Key: InChIKey=GUKNLRIKARVQIX-OBBCHVIHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50142695   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50142695
PNG
(CHEMBL3759663)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C33H38N6O6S2/c34-24(15-22-11-13-23(40)14-12-22)30(42)39-28-19-47-46-18-27(29(35)41)38-32(44)26(17-21-9-5-2-6-10-21)36-31(43)25(37-33(28)45)16-20-7-3-1-4-8-20/h1-14,24-28,40H,15-19,34H2,(H2,35,41)(H,36,43)(H,37,45)(H,38,44)(H,39,42)/t24-,25-,26-,27-,28+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.270n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor transfected in C6 cells by liquid scintillation counting assay


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50142695
PNG
(CHEMBL3759663)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C33H38N6O6S2/c34-24(15-22-11-13-23(40)14-12-22)30(42)39-28-19-47-46-18-27(29(35)41)38-32(44)26(17-21-9-5-2-6-10-21)36-31(43)25(37-33(28)45)16-20-7-3-1-4-8-20/h1-14,24-28,40H,15-19,34H2,(H2,35,41)(H,36,43)(H,37,45)(H,38,44)(H,39,42)/t24-,25-,26-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.800n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor transfected in C6 cells by liquid scintillation counting assay


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair