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Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'shiotani' and Initial = 'k'   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50194487
PNG
(3-[4'-(H-Dmt)-aminobutyl]-6-[3'-(H-Dmt)-aminopropy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O
Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-31-34(45)40-30(23(5)39-31)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1
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0.0210n/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 synaptosomes P2 fraction


Bioorg Med Chem Lett 16: 5793-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.079
BindingDB Entry DOI: 10.7270/Q26Q1WWH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50221787
PNG
(CHEMBL3216418)
Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCc1nc(O)c(CCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C33H46N6O5.2ClH/c1-18-12-23(40)13-19(2)25(18)16-27(34)31(42)36-10-6-8-29-22(5)38-30(33(44)39-29)9-7-11-37-32(43)28(35)17-26-20(3)14-24(41)15-21(26)4;;/h12-15,27-28,40-41H,6-11,16-17,34-35H2,1-5H3,(H,36,42)(H,37,43)(H,39,44);2*1H
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0.0420n/an/an/an/an/an/an/an/a



National Institutes of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum


J Med Chem 47: 2599-610 (2004)


Article DOI: 10.1021/jm0304616
BindingDB Entry DOI: 10.7270/Q2RB755V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212613
PNG
(CHEMBL266122 | Tyr-Pro-Dmp-Phe-NH2)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H41N5O5/c1-21-8-6-9-22(2)26(21)20-29(32(42)37-28(31(36)41)19-23-10-4-3-5-11-23)38-33(43)30-12-7-17-39(30)34(44)27(35)18-24-13-15-25(40)16-14-24/h3-6,8-11,13-16,27-30,40H,7,12,17-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1
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0.0440n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50194488
PNG
(6-[4'-(H-Dmt)-aminobutyl]-3-[3'-(H-Dmt)-aminopropy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1
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0.0510n/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 synaptosomes P2 fraction


Bioorg Med Chem Lett 16: 5793-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.079
BindingDB Entry DOI: 10.7270/Q26Q1WWH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178759
PNG
(1,6-bis-(N,N-dimethyl-Dmt-Tic-NH)hexane | CHEMBL37...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C
Show InChI InChI=1S/C52H68N6O6/c1-33-23-41(59)24-34(2)43(33)29-47(55(5)6)51(63)57-31-39-19-13-11-17-37(39)27-45(57)49(61)53-21-15-9-10-16-22-54-50(62)46-28-38-18-12-14-20-40(38)32-58(46)52(64)48(56(7)8)30-44-35(3)25-42(60)26-36(44)4/h11-14,17-20,23-26,45-48,59-60H,9-10,15-16,21-22,27-32H2,1-8H3,(H,53,61)(H,54,62)/t45?,46?,47-,48-/m0/s1
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0.0600n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212609
PNG
(CHEMBL228409 | Dmt-Pro-Dmp-Phe-NH2)
Show SMILES Cc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-21-10-8-11-22(2)28(21)20-31(34(44)39-30(33(38)43)18-25-12-6-5-7-13-25)40-35(45)32-14-9-15-41(32)36(46)29(37)19-27-23(3)16-26(42)17-24(27)4/h5-8,10-13,16-17,29-32,42H,9,14-15,18-20,37H2,1-4H3,(H2,38,43)(H,39,44)(H,40,45)/t29-,30-,31-,32-/m0/s1
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0.0690n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212619
PNG
(CHEMBL388800 | Dmt-Pro-Dmt-Phe-NH2)
Show SMILES Cc1cc(O)ccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O6/c1-20-14-25(41)12-11-24(20)18-30(33(44)38-29(32(37)43)17-23-8-5-4-6-9-23)39-34(45)31-10-7-13-40(31)35(46)28(36)19-27-21(2)15-26(42)16-22(27)3/h4-6,8-9,11-12,14-16,28-31,41-42H,7,10,13,17-19,36H2,1-3H3,(H2,37,43)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1
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0.0920n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178757
PNG
(3-(Dmt-Tic-NH-butyl)-6-(Dmt-Tic-NH-propyl)-2-(1H)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1nc(C)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[nH]c1=O
Show InChI InChI=1S/C54H66N8O7/c1-31-21-40(63)22-32(2)42(31)27-44(55)53(68)61-29-38-15-8-6-13-36(38)25-48(61)51(66)57-19-11-10-17-47-50(65)60-46(35(5)59-47)18-12-20-58-52(67)49-26-37-14-7-9-16-39(37)30-62(49)54(69)45(56)28-43-33(3)23-41(64)24-34(43)4/h6-9,13-16,21-24,44-45,48-49,63-64H,10-12,17-20,25-30,55-56H2,1-5H3,(H,57,66)(H,58,67)(H,60,65)/t44-,45-,48?,49?/m0/s1
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0.0920n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178761
PNG
(3,6-bis(Dmt-Tic-NH-ethyl)-2(1H)-pyrazinone | CHEMB...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C51H60N8O7/c1-28-18-37(60)19-29(2)39(28)24-41(52)50(65)58-26-35-12-8-6-10-33(35)22-45(58)48(63)54-16-14-43-32(5)56-44(47(62)57-43)15-17-55-49(64)46-23-34-11-7-9-13-36(34)27-59(46)51(66)42(53)25-40-30(3)20-38(61)21-31(40)4/h6-13,18-21,41-42,45-46,60-61H,14-17,22-27,52-53H2,1-5H3,(H,54,63)(H,55,64)(H,57,62)/t41-,42-,45?,46?/m0/s1
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0.0950n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178756
PNG
(3-(Dmt-Tic-NH-ethyl)-6-(Dmt-Tic-NH-butyl)-2-(1H)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C53H64N8O7/c1-30-20-39(62)21-31(2)41(30)26-43(54)52(67)60-28-37-14-8-6-12-35(37)24-47(60)50(65)56-18-11-10-16-45-34(5)58-46(49(64)59-45)17-19-57-51(66)48-25-36-13-7-9-15-38(36)29-61(48)53(68)44(55)27-42-32(3)22-40(63)23-33(42)4/h6-9,12-15,20-23,43-44,47-48,62-63H,10-11,16-19,24-29,54-55H2,1-5H3,(H,56,65)(H,57,66)(H,59,64)/t43-,44-,47?,48?/m0/s1
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0.107n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212616
PNG
(CHEMBL389949 | Dmt-Pro-3,5Dmp-Phe-NH2)
Show SMILES Cc1cc(C)cc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1
Show InChI InChI=1S/C36H45N5O5/c1-21-13-22(2)15-26(14-21)19-31(34(44)39-30(33(38)43)18-25-9-6-5-7-10-25)40-35(45)32-11-8-12-41(32)36(46)29(37)20-28-23(3)16-27(42)17-24(28)4/h5-7,9-10,13-17,29-32,42H,8,11-12,18-20,37H2,1-4H3,(H2,38,43)(H,39,44)(H,40,45)/t29-,30-,31-,32-/m0/s1
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0.110n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50221778
PNG
(CHEMBL3216392)
Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCCc1nc(O)c(CCCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C35H50N6O5.2ClH/c1-20-14-25(42)15-21(2)27(20)18-29(36)33(44)38-12-8-6-10-31-24(5)40-32(35(46)41-31)11-7-9-13-39-34(45)30(37)19-28-22(3)16-26(43)17-23(28)4;;/h14-17,29-30,42-43H,6-13,18-19,36-37H2,1-5H3,(H,38,44)(H,39,45)(H,41,46);2*1H
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0.114n/an/an/an/an/an/an/an/a



National Institutes of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.


J Med Chem 47: 2599-610 (2004)


Article DOI: 10.1021/jm0304616
BindingDB Entry DOI: 10.7270/Q2RB755V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50221781
PNG
(CHEMBL3215968)
Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCCc1nc(O)c(CCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C31H42N6O5.2ClH/c1-16-10-21(38)11-17(2)23(16)14-25(32)29(40)34-8-6-27-20(5)36-28(31(42)37-27)7-9-35-30(41)26(33)15-24-18(3)12-22(39)13-19(24)4;;/h10-13,25-26,38-39H,6-9,14-15,32-33H2,1-5H3,(H,34,40)(H,35,41)(H,37,42);2*1H
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0.115n/an/an/an/an/an/an/an/a



National Institutes of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum


J Med Chem 47: 2599-610 (2004)


Article DOI: 10.1021/jm0304616
BindingDB Entry DOI: 10.7270/Q2RB755V
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178765
PNG
(1,4-bis-(Dmt-Tic-amino)butane | CHEMBL370197)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C46H56N6O6/c1-27-17-35(53)18-28(2)37(27)23-39(47)45(57)51-25-33-13-7-5-11-31(33)21-41(51)43(55)49-15-9-10-16-50-44(56)42-22-32-12-6-8-14-34(32)26-52(42)46(58)40(48)24-38-29(3)19-36(54)20-30(38)4/h5-8,11-14,17-20,39-42,53-54H,9-10,15-16,21-26,47-48H2,1-4H3,(H,49,55)(H,50,56)/t39-,40-,41?,42?/m0/s1
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0.124n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221423
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C28H36N4O3/c1-18-15-22(33)16-19(2)23(18)17-24(29)27(34)30-14-8-7-11-26-28(35)32-25(20(3)31-26)13-12-21-9-5-4-6-10-21/h4-6,9-10,15-16,24,33H,7-8,11-14,17,29H2,1-3H3,(H,30,34)(H,32,35)/t24-/m0/s1
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0.125n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178762
PNG
(1,6-bis-(Dmt-Tic-amino)hexane | CHEMBL197185)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C48H60N6O6/c1-29-19-37(55)20-30(2)39(29)25-41(49)47(59)53-27-35-15-9-7-13-33(35)23-43(53)45(57)51-17-11-5-6-12-18-52-46(58)44-24-34-14-8-10-16-36(34)28-54(44)48(60)42(50)26-40-31(3)21-38(56)22-32(40)4/h7-10,13-16,19-22,41-44,55-56H,5-6,11-12,17-18,23-28,49-50H2,1-4H3,(H,51,57)(H,52,58)/t41-,42-,43?,44?/m0/s1
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0.129n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
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))
BDBM50178763
PNG
(3,6-bis(Dmt-Tic-NH-propyl)-2(1H)-pyrazinone | CHEM...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C53H64N8O7/c1-30-20-39(62)21-31(2)41(30)26-43(54)52(67)60-28-37-14-8-6-12-35(37)24-47(60)50(65)56-18-10-16-45-34(5)58-46(49(64)59-45)17-11-19-57-51(66)48-25-36-13-7-9-15-38(36)29-61(48)53(68)44(55)27-42-32(3)22-40(63)23-33(42)4/h6-9,12-15,20-23,43-44,47-48,62-63H,10-11,16-19,24-29,54-55H2,1-5H3,(H,56,65)(H,57,66)(H,59,64)/t43-,44-,47?,48?/m0/s1
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0.155n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178764
PNG
(3-(Dmt-Tic-NH-propyl)-6-(Dmt-Tic-NH-butyl)-2-(1H)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C54H66N8O7/c1-31-21-40(63)22-32(2)42(31)27-44(55)53(68)61-29-38-15-8-6-13-36(38)25-48(61)51(66)57-19-11-10-17-46-35(5)59-47(50(65)60-46)18-12-20-58-52(67)49-26-37-14-7-9-16-39(37)30-62(49)54(69)45(56)28-43-33(3)23-41(64)24-34(43)4/h6-9,13-16,21-24,44-45,48-49,63-64H,10-12,17-20,25-30,55-56H2,1-5H3,(H,57,66)(H,58,67)(H,60,65)/t44-,45-,48?,49?/m0/s1
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0.160n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178755
PNG
(3,6-bis(Dmt-Tic-NH-methyl)-2(1H)-pyrazinone | CHEM...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCc1[nH]c(=O)c(CNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C49H56N8O7/c1-26-14-35(58)15-27(2)37(26)20-39(50)48(63)56-24-33-12-8-6-10-31(33)18-43(56)46(61)52-22-41-30(5)54-42(45(60)55-41)23-53-47(62)44-19-32-11-7-9-13-34(32)25-57(44)49(64)40(51)21-38-28(3)16-36(59)17-29(38)4/h6-17,39-40,43-44,58-59H,18-25,50-51H2,1-5H3,(H,52,61)(H,53,62)(H,55,60)/t39-,40-,43?,44?/m0/s1
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0.163n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212608
PNG
(CHEMBL389948 | Dmt-Pro-Mmp-Phe-NH2)
Show SMILES Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-21-10-7-8-13-25(21)19-30(33(43)38-29(32(37)42)18-24-11-5-4-6-12-24)39-34(44)31-14-9-15-40(31)35(45)28(36)20-27-22(2)16-26(41)17-23(27)3/h4-8,10-13,16-17,28-31,41H,9,14-15,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t28-,29-,30-,31-/m0/s1
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0.180n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212621
PNG
(CHEMBL228503 | Dmt-Pro-Tmp-Phe-NH2)
Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1
Show InChI InChI=1S/C37H47N5O5/c1-21-14-22(2)29(23(3)15-21)20-32(35(45)40-31(34(39)44)18-26-10-7-6-8-11-26)41-36(46)33-12-9-13-42(33)37(47)30(38)19-28-24(4)16-27(43)17-25(28)5/h6-8,10-11,14-17,30-33,43H,9,12-13,18-20,38H2,1-5H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
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0.180n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212617
PNG
(CHEMBL374818 | Dmt-Pro-Emp-Phe-NH2)
Show SMILES CCc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H47N5O5/c1-5-26-14-9-11-22(2)29(26)21-32(35(45)40-31(34(39)44)19-25-12-7-6-8-13-25)41-36(46)33-15-10-16-42(33)37(47)30(38)20-28-23(3)17-27(43)18-24(28)4/h6-9,11-14,17-18,30-33,43H,5,10,15-16,19-21,38H2,1-4H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
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0.210n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212620
PNG
(CHEMBL413676 | Tyr-Pro-Mmp-Phe-NH)
Show SMILES Cc1ccccc1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H39N5O5/c1-21-8-5-6-11-24(21)20-28(31(41)36-27(30(35)40)19-22-9-3-2-4-10-22)37-32(42)29-12-7-17-38(29)33(43)26(34)18-23-13-15-25(39)16-14-23/h2-6,8-11,13-16,26-29,39H,7,12,17-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26-,27-,28-,29-/m0/s1
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0.220n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
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))
BDBM50149384
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H41N5O5/c1-21-16-25(40)17-22(2)26(21)20-27(35)34(44)39-15-9-14-30(39)33(43)38-29(19-24-12-7-4-8-13-24)32(42)37-28(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1
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0.260n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178754
PNG
(3,6-bis-(N,N-dimethyl-Dmt-Tic-NH-propyl)-2(1H)-pyr...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@H](Cc2c(C)cc(O)cc2C)N(C)C)nc1C
Show InChI InChI=1S/C57H72N8O7/c1-34-24-43(66)25-35(2)45(34)30-51(62(6)7)56(71)64-32-41-18-12-10-16-39(41)28-49(64)54(69)58-22-14-20-47-38(5)60-48(53(68)61-47)21-15-23-59-55(70)50-29-40-17-11-13-19-42(40)33-65(50)57(72)52(63(8)9)31-46-36(3)26-44(67)27-37(46)4/h10-13,16-19,24-27,49-52,66-67H,14-15,20-23,28-33H2,1-9H3,(H,58,69)(H,59,70)(H,61,68)/t49?,50?,51-,52-/m0/s1
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0.287n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212618
PNG
(CHEMBL228516 | Dmt-Pro-Imp-Phe-NH2)
Show SMILES CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C38H49N5O5/c1-22(2)28-14-9-11-23(3)30(28)21-33(36(46)41-32(35(40)45)19-26-12-7-6-8-13-26)42-37(47)34-15-10-16-43(34)38(48)31(39)20-29-24(4)17-27(44)18-25(29)5/h6-9,11-14,17-18,22,31-34,44H,10,15-16,19-21,39H2,1-5H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32-,33-,34-/m0/s1
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0.320n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178758
PNG
(3,6-bis(Dmt-Tic-NH-butyl)-2(1H)-pyrazinone | CHEMB...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C55H68N8O7/c1-32-22-41(64)23-33(2)43(32)28-45(56)54(69)62-30-39-16-8-6-14-37(39)26-49(62)52(67)58-20-12-10-18-47-36(5)60-48(51(66)61-47)19-11-13-21-59-53(68)50-27-38-15-7-9-17-40(38)31-63(50)55(70)46(57)29-44-34(3)24-42(65)25-35(44)4/h6-9,14-17,22-25,45-46,49-50,64-65H,10-13,18-21,26-31,56-57H2,1-5H3,(H,58,67)(H,59,68)(H,61,66)/t45-,46-,49?,50?/m0/s1
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0.323n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221419
PNG
((S)-2-amino-N-(4-(5-benzyl-6-methyl-3-oxo-3,4-dihy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C27H34N4O3/c1-17-13-21(32)14-18(2)22(17)16-23(28)26(33)29-12-8-7-11-24-27(34)31-25(19(3)30-24)15-20-9-5-4-6-10-20/h4-6,9-10,13-14,23,32H,7-8,11-12,15-16,28H2,1-3H3,(H,29,33)(H,31,34)/t23-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212610
PNG
(CHEMBL389023 | Tyr-Pro-Tmp-Phe-NH)
Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1
Show InChI InChI=1S/C35H43N5O5/c1-21-16-22(2)27(23(3)17-21)20-30(33(43)38-29(32(37)42)19-24-8-5-4-6-9-24)39-34(44)31-10-7-15-40(31)35(45)28(36)18-25-11-13-26(41)14-12-25/h4-6,8-9,11-14,16-17,28-31,41H,7,10,15,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t28-,29-,30-,31-/m0/s1
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0.440n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212614
PNG
(CHEMBL434559 | Tyr-Pro-Imp-Phe-NH2)
Show SMILES CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45N5O5/c1-22(2)27-12-7-9-23(3)28(27)21-31(34(44)39-30(33(38)43)20-24-10-5-4-6-11-24)40-35(45)32-13-8-18-41(32)36(46)29(37)19-25-14-16-26(42)17-15-25/h4-7,9-12,14-17,22,29-32,42H,8,13,18-21,37H2,1-3H3,(H2,38,43)(H,39,44)(H,40,45)/t29-,30-,31-,32-/m0/s1
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0.450n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212615
PNG
(CHEMBL375274 | Tyr-Pro-Emp-Phe-NH2)
Show SMILES CCc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-3-25-12-7-9-22(2)27(25)21-30(33(43)38-29(32(37)42)20-23-10-5-4-6-11-23)39-34(44)31-13-8-18-40(31)35(45)28(36)19-24-14-16-26(41)17-15-24/h4-7,9-12,14-17,28-31,41H,3,8,13,18-21,36H2,1-2H3,(H2,37,42)(H,38,43)(H,39,44)/t28-,29-,30-,31-/m0/s1
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0.460n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221429
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(CCc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C27H34N4O3/c1-17-14-21(32)15-18(2)22(17)16-23(28)26(33)29-13-7-10-25-27(34)31-24(19(3)30-25)12-11-20-8-5-4-6-9-20/h4-6,8-9,14-15,23,32H,7,10-13,16,28H2,1-3H3,(H,29,33)(H,31,34)/t23-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221420
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-...)
Show SMILES Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1
Show InChI InChI=1S/C20H28N4O3/c1-12-8-15(25)9-13(2)16(12)10-17(21)19(26)22-7-5-4-6-18-20(27)23-11-14(3)24-18/h8-9,11,17,25H,4-7,10,21H2,1-3H3,(H,22,26)(H,23,27)/t17-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221418
PNG
((S)-N-(4-(5-(2,6-dimethylbenzyl)-6-methyl-3-oxo-3,...)
Show SMILES Cc1cccc(C)c1Cc1[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C29H38N4O3/c1-17-9-8-10-18(2)24(17)16-27-21(5)32-26(29(36)33-27)11-6-7-12-31-28(35)25(30)15-23-19(3)13-22(34)14-20(23)4/h8-10,13-14,25,34H,6-7,11-12,15-16,30H2,1-5H3,(H,31,35)(H,33,36)/t25-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
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


(Homo sapiens (Human))
BDBM50221424
PNG
((S)-2-amino-N-(3-(5-benzyl-6-methyl-3-oxo-3,4-dihy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C26H32N4O3/c1-16-12-20(31)13-17(2)21(16)15-22(27)25(32)28-11-7-10-23-26(33)30-24(18(3)29-23)14-19-8-5-4-6-9-19/h4-6,8-9,12-13,22,31H,7,10-11,14-15,27H2,1-3H3,(H,28,32)(H,30,33)/t22-/m0/s1
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1n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 5768-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.058
BindingDB Entry DOI: 10.7270/Q2N29WPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50221780
PNG
(CHEMBL3217089)
Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCc1nc(O)c(CNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C29H38N6O5.2ClH/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4;;/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40);2*1H
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1.20n/an/an/an/an/an/an/an/a



National Institutes of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.


J Med Chem 47: 2599-610 (2004)


Article DOI: 10.1021/jm0304616
BindingDB Entry DOI: 10.7270/Q2RB755V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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1.33n/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 Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178756
PNG
(3-(Dmt-Tic-NH-ethyl)-6-(Dmt-Tic-NH-butyl)-2-(1H)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C53H64N8O7/c1-30-20-39(62)21-31(2)41(30)26-43(54)52(67)60-28-37-14-8-6-12-35(37)24-47(60)50(65)56-18-11-10-16-45-34(5)58-46(49(64)59-45)17-19-57-51(66)48-25-36-13-7-9-15-38(36)29-61(48)53(68)44(55)27-42-32(3)22-40(63)23-33(42)4/h6-9,12-15,20-23,43-44,47-48,62-63H,10-11,16-19,24-29,54-55H2,1-5H3,(H,56,65)(H,57,66)(H,59,64)/t43-,44-,47?,48?/m0/s1
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1.37n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178760
PNG
(1,10-bis-(Dmt-Tic-amino)decane | CHEMBL373192)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C52H68N6O6/c1-33-23-41(59)24-34(2)43(33)29-45(53)51(63)57-31-39-19-13-11-17-37(39)27-47(57)49(61)55-21-15-9-7-5-6-8-10-16-22-56-50(62)48-28-38-18-12-14-20-40(38)32-58(48)52(64)46(54)30-44-35(3)25-42(60)26-36(44)4/h11-14,17-20,23-26,45-48,59-60H,5-10,15-16,21-22,27-32,53-54H2,1-4H3,(H,55,61)(H,56,62)/t45-,46-,47?,48?/m0/s1
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1.53n/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 synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178764
PNG
(3-(Dmt-Tic-NH-propyl)-6-(Dmt-Tic-NH-butyl)-2-(1H)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C54H66N8O7/c1-31-21-40(63)22-32(2)42(31)27-44(55)53(68)61-29-38-15-8-6-13-36(38)25-48(61)51(66)57-19-11-10-17-46-35(5)59-47(50(65)60-46)18-12-20-58-52(67)49-26-37-14-7-9-16-39(37)30-62(49)54(69)45(56)28-43-33(3)23-41(64)24-34(43)4/h6-9,13-16,21-24,44-45,48-49,63-64H,10-12,17-20,25-30,55-56H2,1-5H3,(H,57,66)(H,58,67)(H,60,65)/t44-,45-,48?,49?/m0/s1
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1.56n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178754
PNG
(3,6-bis-(N,N-dimethyl-Dmt-Tic-NH-propyl)-2(1H)-pyr...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@H](Cc2c(C)cc(O)cc2C)N(C)C)nc1C
Show InChI InChI=1S/C57H72N8O7/c1-34-24-43(66)25-35(2)45(34)30-51(62(6)7)56(71)64-32-41-18-12-10-16-39(41)28-49(64)54(69)58-22-14-20-47-38(5)60-48(53(68)61-47)21-15-23-59-55(70)50-29-40-17-11-13-19-42(40)33-65(50)57(72)52(63(8)9)31-46-36(3)26-44(67)27-37(46)4/h10-13,16-19,24-27,49-52,66-67H,14-15,20-23,28-33H2,1-9H3,(H,58,69)(H,59,70)(H,61,68)/t49?,50?,51-,52-/m0/s1
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1.68n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178758
PNG
(3,6-bis(Dmt-Tic-NH-butyl)-2(1H)-pyrazinone | CHEMB...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C55H68N8O7/c1-32-22-41(64)23-33(2)43(32)28-45(56)54(69)62-30-39-16-8-6-14-37(39)26-49(62)52(67)58-20-12-10-18-47-36(5)60-48(51(66)61-47)19-11-13-21-59-53(68)50-27-38-15-7-9-17-40(38)31-63(50)55(70)46(57)29-44-34(3)24-42(65)25-35(44)4/h6-9,14-17,22-25,45-46,49-50,64-65H,10-13,18-21,26-31,56-57H2,1-5H3,(H,58,67)(H,59,68)(H,61,66)/t45-,46-,49?,50?/m0/s1
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1.74n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178762
PNG
(1,6-bis-(Dmt-Tic-amino)hexane | CHEMBL197185)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C48H60N6O6/c1-29-19-37(55)20-30(2)39(29)25-41(49)47(59)53-27-35-15-9-7-13-33(35)23-43(53)45(57)51-17-11-5-6-12-18-52-46(58)44-24-34-14-8-10-16-36(34)28-54(44)48(60)42(50)26-40-31(3)21-38(56)22-32(40)4/h7-10,13-16,19-22,41-44,55-56H,5-6,11-12,17-18,23-28,49-50H2,1-4H3,(H,51,57)(H,52,58)/t41-,42-,43?,44?/m0/s1
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1.79n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50212621
PNG
(CHEMBL228503 | Dmt-Pro-Tmp-Phe-NH2)
Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1
Show InChI InChI=1S/C37H47N5O5/c1-21-14-22(2)29(23(3)15-21)20-32(35(45)40-31(34(39)44)18-26-10-7-6-8-11-26)41-36(46)33-12-9-13-42(33)37(47)30(38)19-28-24(4)16-27(43)17-25(28)5/h6-8,10-11,14-17,30-33,43H,9,12-13,18-20,38H2,1-5H3,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
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1.83n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane


J Med Chem 50: 2753-66 (2007)


Article DOI: 10.1021/jm061238m
BindingDB Entry DOI: 10.7270/Q25B0264
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))
BDBM50178759
PNG
(1,6-bis-(N,N-dimethyl-Dmt-Tic-NH)hexane | CHEMBL37...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C
Show InChI InChI=1S/C52H68N6O6/c1-33-23-41(59)24-34(2)43(33)29-47(55(5)6)51(63)57-31-39-19-13-11-17-37(39)27-45(57)49(61)53-21-15-9-10-16-22-54-50(62)46-28-38-18-12-14-20-40(38)32-58(46)52(64)48(56(7)8)30-44-35(3)25-42(60)26-36(44)4/h11-14,17-20,23-26,45-48,59-60H,9-10,15-16,21-22,27-32H2,1-8H3,(H,53,61)(H,54,62)/t45?,46?,47-,48-/m0/s1
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2.21n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


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


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
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