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BDBM50272170 CHEMBL500937::H-Dmt-Tic-Gly-N(Me)-Ph

SMILES: CN(C(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1

InChI Key: InChIKey=CADRNJIFUDEZBB-SVBPBHIXSA-N

Data: 2 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50272170   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272170
PNG
(CHEMBL500937 | H-Dmt-Tic-Gly-N(Me)-Ph)
Show SMILES CN(C(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-13-24(35)14-20(2)25(19)16-26(31)30(38)34-18-22-10-8-7-9-21(22)15-27(34)29(37)32-17-28(36)33(3)23-11-5-4-6-12-23/h4-14,26-27,35H,15-18,31H2,1-3H3,(H,32,37)/t26-,27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.143n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50272170
PNG
(CHEMBL500937 | H-Dmt-Tic-Gly-N(Me)-Ph)
Show SMILES CN(C(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-13-24(35)14-20(2)25(19)16-26(31)30(38)34-18-22-10-8-7-9-21(22)15-27(34)29(37)32-17-28(36)33(3)23-11-5-4-6-12-23/h4-14,26-27,35H,15-18,31H2,1-3H3,(H,32,37)/t26-,27-/m0/s1
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Article
PubMed
1.75n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50272170
PNG
(CHEMBL500937 | H-Dmt-Tic-Gly-N(Me)-Ph)
Show SMILES CN(C(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-13-24(35)14-20(2)25(19)16-26(31)30(38)34-18-22-10-8-7-9-21(22)15-27(34)29(37)32-17-28(36)33(3)23-11-5-4-6-12-23/h4-14,26-27,35H,15-18,31H2,1-3H3,(H,32,37)/t26-,27-/m0/s1
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UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


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


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair