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BDBM50159681 (S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL175770

SMILES: CCc1cc(O)cc(C)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=BZLYBGIVFPHHKD-BQFSGGQZSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50159681   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)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/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0630n/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))
BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)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/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
55.7n/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
Delta-type opioid receptor


(MOUSE)
BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)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/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.08n/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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50159681
PNG
((S)-1-[2-Amino-3-(2-ethyl-4-hydroxy-6-methyl-pheny...)
Show SMILES CCc1cc(O)cc(C)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/C35H43N5O5/c1-3-25-20-26(41)17-22(2)27(25)21-28(36)35(45)40-16-10-15-31(40)34(44)39-30(19-24-13-8-5-9-14-24)33(43)38-29(32(37)42)18-23-11-6-4-7-12-23/h4-9,11-14,17,20,28-31,41H,3,10,15-16,18-19,21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28?,29-,30-,31-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.623n/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