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SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WRTCLUUJUQXTQD-MYHRABSESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50071076   
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))
BDBM50071076
PNG
(CHEMBL3409749)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O6/c34-25(18-23-13-15-24(39)16-14-23)33(44)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)32(43)37-27(30(35)41)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-29,39-40H,7,12,17-20,34H2,(H2,35,41)(H,36,42)(H,37,43)/t25-,26-,27-,28-,29+/m0/s1
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Article
PubMed
9n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat cortex mu opioid receptor after 30 mins by liquid scintillation counting analysis


Eur J Med Chem 92: 270-81 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.049
BindingDB Entry DOI: 10.7270/Q22B90RZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50071076
PNG
(CHEMBL3409749)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O6/c34-25(18-23-13-15-24(39)16-14-23)33(44)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)32(43)37-27(30(35)41)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-29,39-40H,7,12,17-20,34H2,(H2,35,41)(H,36,42)(H,37,43)/t25-,26-,27-,28-,29+/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
2.71E+3n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from guinea pig cortex/cerebella kappa opioid receptor after 2 hrs by liquid scintillation counting analysis


Eur J Med Chem 92: 270-81 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.049
BindingDB Entry DOI: 10.7270/Q22B90RZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50071076
PNG
(CHEMBL3409749)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O6/c34-25(18-23-13-15-24(39)16-14-23)33(44)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)32(43)37-27(30(35)41)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-29,39-40H,7,12,17-20,34H2,(H2,35,41)(H,36,42)(H,37,43)/t25-,26-,27-,28-,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.29E+3n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from rat cortex delta opioid receptor after 2.5 hrs by liquid scintillation counting analysis


Eur J Med Chem 92: 270-81 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.049
BindingDB Entry DOI: 10.7270/Q22B90RZ
More data for this
Ligand-Target Pair