BindingDB logo
myBDB logout

null

SMILES: C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1

InChI Key: InChIKey=JSXDYCAVWGVFLX-SDOQUPDNSA-N

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 4 hits for monomerid = 50428087   
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))
BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
62n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
480n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MOR in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-stimulated muscle contracti...


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50428087
PNG
(CHEMBL2323574)
Show SMILES C[C@@H](NC(=O)C[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-41(60)25-35(49)21-33-13-17-37(58)18-14-33)46(65)52-28-44(63)57-40(24-32-11-7-4-8-12-32)48(67)55-36(22-34-15-19-38(59)20-16-34)26-42(61)54-30(2)47(66)51-27-43(62)56-39(45(50)64)23-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,66)(H,52,65)(H,53,60)(H,54,61)(H,55,67)(H,56,62)(H,57,63)/t29-,30-,35+,36+,39+,40+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of DOR in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction after 3 mins


J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair