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BDBM50397112 CHEMBL2171848

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=SBEVDTWPQIXWDO-XVYWXRPESA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50397112   
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


(Homo sapiens (Human))
BDBM50397112
PNG
(CHEMBL2171848)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H37N5O6/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43)/t23-,25-,26+,27+,28-/m0/s1
PDB

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KEGG

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara G. d'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter


J Med Chem 55: 8477-82 (2012)


Article DOI: 10.1021/jm300947s
BindingDB Entry DOI: 10.7270/Q2NP25JD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50397112
PNG
(CHEMBL2171848)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H37N5O6/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43)/t23-,25-,26+,27+,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara G. d'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter


J Med Chem 55: 8477-82 (2012)


Article DOI: 10.1021/jm300947s
BindingDB Entry DOI: 10.7270/Q2NP25JD
More data for this
Ligand-Target Pair