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PubMed code 16183273

Compile data set for download or QSAR
Found 12 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


(Rattus norvegicus (rat))
BDBM50174200
PNG
(CHEMBL380590 | H-Dmt-Tic-NH-(CH2)6-NH-Tic-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1
Show InChI InChI=1S/C37H47N5O4/c1-24-17-30(43)18-25(2)31(24)21-32(38)37(46)42-23-29-14-8-6-12-27(29)20-34(42)36(45)40-16-10-4-3-9-15-39-35(44)33-19-26-11-5-7-13-28(26)22-41-33/h5-8,11-14,17-18,32-34,41,43H,3-4,9-10,15-16,19-23,38H2,1-2H3,(H,39,44)(H,40,45)/t32-,33?,34?/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from delta opioid receptor in rat brain membrane


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50174198
PNG
(CHEMBL372130 | H-Dmt-Tic-NH-(CH2)6-NH-Dmt-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C38H51N5O5/c1-23-15-29(44)16-24(2)31(23)20-33(39)36(46)41-13-9-5-6-10-14-42-37(47)35-19-27-11-7-8-12-28(27)22-43(35)38(48)34(40)21-32-25(3)17-30(45)18-26(32)4/h7-8,11-12,15-18,33-35,44-45H,5-6,9-10,13-14,19-22,39-40H2,1-4H3,(H,41,46)(H,42,47)/t33-,34-,35?/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from delta opioid receptor in rat brain membrane


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50174198
PNG
(CHEMBL372130 | H-Dmt-Tic-NH-(CH2)6-NH-Dmt-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C38H51N5O5/c1-23-15-29(44)16-24(2)31(23)20-33(39)36(46)41-13-9-5-6-10-14-42-37(47)35-19-27-11-7-8-12-28(27)22-43(35)38(48)34(40)21-32-25(3)17-30(45)18-26(32)4/h7-8,11-12,15-18,33-35,44-45H,5-6,9-10,13-14,19-22,39-40H2,1-4H3,(H,41,46)(H,42,47)/t33-,34-,35?/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50174199
PNG
(CHEMBL198909 | H-Dmt-Tic-NH-(CH2)6-NH-Phe-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C36H47N5O4/c1-24-18-29(42)19-25(2)30(24)22-32(38)36(45)41-23-28-15-9-8-14-27(28)21-33(41)35(44)40-17-11-4-3-10-16-39-34(43)31(37)20-26-12-6-5-7-13-26/h5-9,12-15,18-19,31-33,42H,3-4,10-11,16-17,20-23,37-38H2,1-2H3,(H,39,43)(H,40,44)/t31-,32-,33?/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin II from delta opioid receptor in rat brain membrane


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50174199
PNG
(CHEMBL198909 | H-Dmt-Tic-NH-(CH2)6-NH-Phe-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C36H47N5O4/c1-24-18-29(42)19-25(2)30(24)22-32(38)36(45)41-23-28-15-9-8-14-27(28)21-33(41)35(44)40-17-11-4-3-10-16-39-34(43)31(37)20-26-12-6-5-7-13-26/h5-9,12-15,18-19,31-33,42H,3-4,10-11,16-17,20-23,37-38H2,1-2H3,(H,39,43)(H,40,44)/t31-,32-,33?/m0/s1
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1.91n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50174200
PNG
(CHEMBL380590 | H-Dmt-Tic-NH-(CH2)6-NH-Tic-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1
Show InChI InChI=1S/C37H47N5O4/c1-24-17-30(43)18-25(2)31(24)21-32(38)37(46)42-23-29-14-8-6-12-27(29)20-34(42)36(45)40-16-10-4-3-9-15-39-35(44)33-19-26-11-5-7-13-28(26)22-41-33/h5-8,11-14,17-18,32-34,41,43H,3-4,9-10,15-16,19-23,38H2,1-2H3,(H,39,44)(H,40,45)/t32-,33?,34?/m0/s1
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2.81n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50174200
PNG
(CHEMBL380590 | H-Dmt-Tic-NH-(CH2)6-NH-Tic-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1
Show InChI InChI=1S/C37H47N5O4/c1-24-17-30(43)18-25(2)31(24)21-32(38)37(46)42-23-29-14-8-6-12-27(29)20-34(42)36(45)40-16-10-4-3-9-15-39-35(44)33-19-26-11-5-7-13-28(26)22-41-33/h5-8,11-14,17-18,32-34,41,43H,3-4,9-10,15-16,19-23,38H2,1-2H3,(H,39,44)(H,40,45)/t32-,33?,34?/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity against mu opioid receptor in guinea-pig ileum


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50174199
PNG
(CHEMBL198909 | H-Dmt-Tic-NH-(CH2)6-NH-Phe-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C36H47N5O4/c1-24-18-29(42)19-25(2)30(24)22-32(38)36(45)41-23-28-15-9-8-14-27(28)21-33(41)35(44)40-17-11-4-3-10-16-39-34(43)31(37)20-26-12-6-5-7-13-26/h5-9,12-15,18-19,31-33,42H,3-4,10-11,16-17,20-23,37-38H2,1-2H3,(H,39,43)(H,40,44)/t31-,32-,33?/m0/s1
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n/an/a 5.55E+3n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity against mu opioid receptor in guinea-pig ileum


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50174198
PNG
(CHEMBL372130 | H-Dmt-Tic-NH-(CH2)6-NH-Dmt-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C38H51N5O5/c1-23-15-29(44)16-24(2)31(23)20-33(39)36(46)41-13-9-5-6-10-14-42-37(47)35-19-27-11-7-8-12-28(27)22-43(35)38(48)34(40)21-32-25(3)17-30(45)18-26(32)4/h7-8,11-12,15-18,33-35,44-45H,5-6,9-10,13-14,19-22,39-40H2,1-4H3,(H,41,46)(H,42,47)/t33-,34-,35?/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity against mu opioid receptor in guinea-pig ileum


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50174199
PNG
(CHEMBL198909 | H-Dmt-Tic-NH-(CH2)6-NH-Phe-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C36H47N5O4/c1-24-18-29(42)19-25(2)30(24)22-32(38)36(45)41-23-28-15-9-8-14-27(28)21-33(41)35(44)40-17-11-4-3-10-16-39-34(43)31(37)20-26-12-6-5-7-13-26/h5-9,12-15,18-19,31-33,42H,3-4,10-11,16-17,20-23,37-38H2,1-2H3,(H,39,43)(H,40,44)/t31-,32-,33?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at delta opioid receptor in mouse vas deferens


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50174200
PNG
(CHEMBL380590 | H-Dmt-Tic-NH-(CH2)6-NH-Tic-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1
Show InChI InChI=1S/C37H47N5O4/c1-24-17-30(43)18-25(2)31(24)21-32(38)37(46)42-23-29-14-8-6-12-27(29)20-34(42)36(45)40-16-10-4-3-9-15-39-35(44)33-19-26-11-5-7-13-28(26)22-41-33/h5-8,11-14,17-18,32-34,41,43H,3-4,9-10,15-16,19-23,38H2,1-2H3,(H,39,44)(H,40,45)/t32-,33?,34?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at delta opioid receptor in mouse vas deferens


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50174198
PNG
(CHEMBL372130 | H-Dmt-Tic-NH-(CH2)6-NH-Dmt-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C38H51N5O5/c1-23-15-29(44)16-24(2)31(23)20-33(39)36(46)41-13-9-5-6-10-14-42-37(47)35-19-27-11-7-8-12-28(27)22-43(35)38(48)34(40)21-32-25(3)17-30(45)18-26(32)4/h7-8,11-12,15-18,33-35,44-45H,5-6,9-10,13-14,19-22,39-40H2,1-4H3,(H,41,46)(H,42,47)/t33-,34-,35?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at delta opioid receptor in mouse vas deferens


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%