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BDBM50159684 (S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL362002

SMILES: CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=GRIMHILSJHZLCF-PTMYVKAOSA-N

Data: 2 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50159684   
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))
BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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Similars

Article
PubMed
0.0840n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor


J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
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Article
PubMed
69.7n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to delta-Opioid receptor


J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.903n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum


J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50159684
PNG
((S)-1-[2-Amino-3-(2,6-diethyl-4-hydroxy-phenyl)-pr...)
Show SMILES CCc1cc(O)cc(CC)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-3-25-20-27(42)21-26(4-2)28(25)22-29(37)36(46)41-17-11-16-32(41)35(45)40-31(19-24-14-9-6-10-15-24)34(44)39-30(33(38)43)18-23-12-7-5-8-13-23/h5-10,12-15,20-21,29-32,42H,3-4,11,16-19,22,37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,45)/t29?,30-,31-,32-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47.1n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor delta using mouse vas deferens


J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair