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BDBM50268583 Ac-L-Phe-D-pro-L-Phe-D-trp-NH2::CHEMBL503011

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=QSSNQOOVGHTMHO-OKDNLZPVSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50268583   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50268583
PNG
(Ac-L-Phe-D-pro-L-Phe-D-trp-NH2 | CHEMBL503011)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31+,32-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50268583
PNG
(Ac-L-Phe-D-pro-L-Phe-D-trp-NH2 | CHEMBL503011)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31+,32-/m1/s1
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50268583
PNG
(Ac-L-Phe-D-pro-L-Phe-D-trp-NH2 | CHEMBL503011)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30+,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair