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BDBM50163913 CHEMBL180777::Tyr-Pro-Phe-Phe-NHNH2

SMILES: NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=JZSLBNUKUIAYPN-LJWNLINESA-N

Data: 2 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50163913   
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))
BDBM50163913
PNG
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)
Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1
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9.35n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50163913
PNG
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)
Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50163913
PNG
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)
Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1
UniProtKB/SwissProt

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n/an/a 132n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Opioid receptor mu 1 was measured using guinea pig ileum assay


Bioorg Med Chem Lett 15: 1847-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.021
BindingDB Entry DOI: 10.7270/Q2571BHT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50163913
PNG
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)
Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 185n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Mu-opioid receptor


(Cavia porcellus)
BDBM50163913
PNG
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)
Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 16: 6415-22 (2008)


Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50163913
PNG
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)
Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1
PDB

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Article
PubMed
n/an/a 185n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Opioid receptor delta 1 was measured using mouse vas deferens assay


Bioorg Med Chem Lett 15: 1847-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.021
BindingDB Entry DOI: 10.7270/Q2571BHT
More data for this
Ligand-Target Pair