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SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O

InChI Key: InChIKey=AYRRYHMNASIQTF-SDHOMARFSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50207825   
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))
BDBM50207825
PNG
(CHEMBL246739 | H-Cdp-Gly-Gly-Phe-Leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C31H42N6O7/c1-17(2)10-25(31(43)44)37-30(42)24(13-20-8-6-5-7-9-20)36-27(39)16-34-26(38)15-35-29(41)23(32)14-22-18(3)11-21(28(33)40)12-19(22)4/h5-9,11-12,17,23-25H,10,13-16,32H2,1-4H3,(H2,33,40)(H,34,38)(H,35,41)(H,36,39)(H,37,42)(H,43,44)/t23-,24-,25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207825
PNG
(CHEMBL246739 | H-Cdp-Gly-Gly-Phe-Leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C31H42N6O7/c1-17(2)10-25(31(43)44)37-30(42)24(13-20-8-6-5-7-9-20)36-27(39)16-34-26(38)15-35-29(41)23(32)14-22-18(3)11-21(28(33)40)12-19(22)4/h5-9,11-12,17,23-25H,10,13-16,32H2,1-4H3,(H2,33,40)(H,34,38)(H,35,41)(H,36,39)(H,37,42)(H,43,44)/t23-,24-,25-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50207825
PNG
(CHEMBL246739 | H-Cdp-Gly-Gly-Phe-Leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C31H42N6O7/c1-17(2)10-25(31(43)44)37-30(42)24(13-20-8-6-5-7-9-20)36-27(39)16-34-26(38)15-35-29(41)23(32)14-22-18(3)11-21(28(33)40)12-19(22)4/h5-9,11-12,17,23-25H,10,13-16,32H2,1-4H3,(H2,33,40)(H,34,38)(H,35,41)(H,36,39)(H,37,42)(H,43,44)/t23-,24-,25-/m0/s1
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1.30E+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


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50207825
PNG
(CHEMBL246739 | H-Cdp-Gly-Gly-Phe-Leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C31H42N6O7/c1-17(2)10-25(31(43)44)37-30(42)24(13-20-8-6-5-7-9-20)36-27(39)16-34-26(38)15-35-29(41)23(32)14-22-18(3)11-21(28(33)40)12-19(22)4/h5-9,11-12,17,23-25H,10,13-16,32H2,1-4H3,(H2,33,40)(H,34,38)(H,35,41)(H,36,39)(H,37,42)(H,43,44)/t23-,24-,25-/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207825
PNG
(CHEMBL246739 | H-Cdp-Gly-Gly-Phe-Leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C31H42N6O7/c1-17(2)10-25(31(43)44)37-30(42)24(13-20-8-6-5-7-9-20)36-27(39)16-34-26(38)15-35-29(41)23(32)14-22-18(3)11-21(28(33)40)12-19(22)4/h5-9,11-12,17,23-25H,10,13-16,32H2,1-4H3,(H2,33,40)(H,34,38)(H,35,41)(H,36,39)(H,37,42)(H,43,44)/t23-,24-,25-/m0/s1
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Article
PubMed
n/an/an/an/a 4.10n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned delta opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair