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

InChI Key: InChIKey=MNNRFUWQCDJULI-CGIBELHQSA-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 = 50207832   
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))		BDBM50207832
PNG
(CHEMBL247758 | H-Cdp-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C32H44N6O7/c1-17(2)11-26(32(44)45)38-31(43)25(14-21-9-7-6-8-10-21)37-27(39)16-35-29(41)20(5)36-30(42)24(33)15-23-18(3)12-22(28(34)40)13-19(23)4/h6-10,12-13,17,20,24-26H,11,14-16,33H2,1-5H3,(H2,34,40)(H,35,41)(H,36,42)(H,37,39)(H,38,43)(H,44,45)/t20-,24-,25-,26-/m0/s1
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 0.780n/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))		BDBM50207832
PNG
(CHEMBL247758 | H-Cdp-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C32H44N6O7/c1-17(2)11-26(32(44)45)38-31(43)25(14-21-9-7-6-8-10-21)37-27(39)16-35-29(41)20(5)36-30(42)24(33)15-23-18(3)12-22(28(34)40)13-19(23)4/h6-10,12-13,17,20,24-26H,11,14-16,33H2,1-5H3,(H2,34,40)(H,35,41)(H,36,42)(H,37,39)(H,38,43)(H,44,45)/t20-,24-,25-,26-/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))		BDBM50207832
PNG
(CHEMBL247758 | H-Cdp-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C32H44N6O7/c1-17(2)11-26(32(44)45)38-31(43)25(14-21-9-7-6-8-10-21)37-27(39)16-35-29(41)20(5)36-30(42)24(33)15-23-18(3)12-22(28(34)40)13-19(23)4/h6-10,12-13,17,20,24-26H,11,14-16,33H2,1-5H3,(H2,34,40)(H,35,41)(H,36,42)(H,37,39)(H,38,43)(H,44,45)/t20-,24-,25-,26-/m0/s1
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 2.40E+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))		BDBM50207832
PNG
(CHEMBL247758 | H-Cdp-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C32H44N6O7/c1-17(2)11-26(32(44)45)38-31(43)25(14-21-9-7-6-8-10-21)37-27(39)16-35-29(41)20(5)36-30(42)24(33)15-23-18(3)12-22(28(34)40)13-19(23)4/h6-10,12-13,17,20,24-26H,11,14-16,33H2,1-5H3,(H2,34,40)(H,35,41)(H,36,42)(H,37,39)(H,38,43)(H,44,45)/t20-,24-,25-,26-/m0/s1
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n/an/an/an/a 49n/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))		BDBM50207832
PNG
(CHEMBL247758 | H-Cdp-ala-Gly-Phe-leu-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)C(O)=O
Show InChI InChI=1S/C32H44N6O7/c1-17(2)11-26(32(44)45)38-31(43)25(14-21-9-7-6-8-10-21)37-27(39)16-35-29(41)20(5)36-30(42)24(33)15-23-18(3)12-22(28(34)40)13-19(23)4/h6-10,12-13,17,20,24-26H,11,14-16,33H2,1-5H3,(H2,34,40)(H,35,41)(H,36,42)(H,37,39)(H,38,43)(H,44,45)/t20-,24-,25-,26-/m0/s1
PDB

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n/an/an/an/a 2.5n/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