BindingDB logo
myBDB logout

BDBM50295262 (S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-2,5-dihydro-1H-pyrrole-2-carboxamide::CHEMBL557243

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=ALCQOUNQFVEEKI-LJWNLINESA-N

Data: 1 KI  2 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 3 hits for monomerid = 50295262   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50295262
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-16,25-28,38H,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50295262
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-16,25-28,38H,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50295262
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC=C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H35N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-16,25-28,38H,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ di Roma

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 Lett 19: 4115-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.008
BindingDB Entry DOI: 10.7270/Q2ZS2WJX
More data for this
Ligand-Target Pair