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PubMed code 11150176

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Delta-type opioid receptor


(MOUSE)		BDBM50095732
PNG
(2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)N=C=S)C(O)=O
Show InChI InChI=1S/C38H37N5O6S/c39-31(18-25-12-16-30(44)17-13-25)37(47)43-22-28-9-5-4-8-27(28)21-34(43)36(46)41-32(19-24-6-2-1-3-7-24)35(45)42-33(38(48)49)20-26-10-14-29(15-11-26)40-23-50/h1-17,31-34,44H,18-22,39H2,(H,41,46)(H,42,45)(H,48,49)/t31?,32-,33-,34-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding assay evaluated using DPPE radioligand in CHO cells transfected with mouse Opioid receptor delta 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50095735
PNG
(2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C37H39N5O6/c38-28-14-10-25(11-15-28)20-32(37(47)48)41-34(44)31(19-23-6-2-1-3-7-23)40-35(45)33-21-26-8-4-5-9-27(26)22-42(33)36(46)30(39)18-24-12-16-29(43)17-13-24/h1-17,30-33,43H,18-22,38-39H2,(H,40,45)(H,41,44)(H,47,48)/t30?,31-,32-,33-/m0/s1
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n/an/a 11.8n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding assay evaluated using DPPE radioligand in CHO cells transfected with mouse Opioid receptor delta 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50095731
PNG
(2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H37N5O6S/c39-31(18-25-12-16-30(44)17-13-25)37(47)43-22-28-9-5-4-8-27(28)21-34(43)36(46)41-32(19-26-10-14-29(15-11-26)40-23-50)35(45)42-33(38(48)49)20-24-6-2-1-3-7-24/h1-17,31-34,44H,18-22,39H2,(H,41,46)(H,42,45)(H,48,49)/t31?,32-,33-,34-/m0/s1
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n/an/a 12.4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding assay evaluated using DPPE radioligand in CHO cells transfected with mouse Opioid receptor delta 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50095733
PNG
(2-[2-(2-{2-[2-Dibenzylamino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C=S)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H48N6O7S/c1-29(2)21-37(43(55)56)48-41(53)36(22-30-13-17-34(18-14-30)46-28-57)47-40(52)25-44-39(51)24-45-42(54)38(23-31-15-19-35(50)20-16-31)49(26-32-9-5-3-6-10-32)27-33-11-7-4-8-12-33/h3-20,29,36-38,50H,21-27H2,1-2H3,(H,44,51)(H,45,54)(H,47,52)(H,48,53)(H,55,56)
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n/an/a 35n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50095736
PNG
(2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H39N5O6/c38-28-14-10-25(11-15-28)19-31(34(44)41-32(37(47)48)20-23-6-2-1-3-7-23)40-35(45)33-21-26-8-4-5-9-27(26)22-42(33)36(46)30(39)18-24-12-16-29(43)17-13-24/h1-17,30-33,43H,18-22,38-39H2,(H,40,45)(H,41,44)(H,47,48)/t30?,31-,32-,33-/m0/s1
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n/an/a 87.7n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding assay evaluated using DPPE radioligand in CHO cells transfected with mouse Opioid receptor delta 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50095736
PNG
(2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H39N5O6/c38-28-14-10-25(11-15-28)19-31(34(44)41-32(37(47)48)20-23-6-2-1-3-7-23)40-35(45)33-21-26-8-4-5-9-27(26)22-42(33)36(46)30(39)18-24-12-16-29(43)17-13-24/h1-17,30-33,43H,18-22,38-39H2,(H,40,45)(H,41,44)(H,47,48)/t30?,31-,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding assay evaluated using DAMGO radioligand in CHO cells transfected with rat Opioid receptor mu 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50095731
PNG
(2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)N=C=S)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H37N5O6S/c39-31(18-25-12-16-30(44)17-13-25)37(47)43-22-28-9-5-4-8-27(28)21-34(43)36(46)41-32(19-26-10-14-29(15-11-26)40-23-50)35(45)42-33(38(48)49)20-24-6-2-1-3-7-24/h1-17,31-34,44H,18-22,39H2,(H,41,46)(H,42,45)(H,48,49)/t31?,32-,33-,34-/m0/s1
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University of Maryland

Curated by ChEMBL


Assay Description
Binding assay evaluated using DAMGO radioligand in CHO cells transfected with rat Opioid receptor mu 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50095735
PNG
(2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C37H39N5O6/c38-28-14-10-25(11-15-28)20-32(37(47)48)41-34(44)31(19-23-6-2-1-3-7-23)40-35(45)33-21-26-8-4-5-9-27(26)22-42(33)36(46)30(39)18-24-12-16-29(43)17-13-24/h1-17,30-33,43H,18-22,38-39H2,(H,40,45)(H,41,44)(H,47,48)/t30?,31-,32-,33-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding assay evaluated using DAMGO radioligand in CHO cells transfected with rat Opioid receptor mu 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50095732
PNG
(2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)N=C=S)C(O)=O
Show InChI InChI=1S/C38H37N5O6S/c39-31(18-25-12-16-30(44)17-13-25)37(47)43-22-28-9-5-4-8-27(28)21-34(43)36(46)41-32(19-24-6-2-1-3-7-24)35(45)42-33(38(48)49)20-26-10-14-29(15-11-26)40-23-50/h1-17,31-34,44H,18-22,39H2,(H,41,46)(H,42,45)(H,48,49)/t31?,32-,33-,34-/m0/s1
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University of Maryland

Curated by ChEMBL


Assay Description
Binding assay evaluated using DAMGO radioligand in CHO cells transfected with rat Opioid receptor mu 1

J Med Chem 43: 5044-9 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q0D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%