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PubMed code 16335927

Compile data set for download or QSAR
Found 48 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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Opioid receptors; mu & delta


(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
Nociceptin/mu 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
Opioid receptors; mu & delta


(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
Nociceptin/mu 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
Nociceptin/mu 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
Nociceptin/mu 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
Nociceptin/mu 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
Nociceptin/mu 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
Nociceptin/mu 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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2.28n/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
Nociceptin/mu 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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2.83n/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
Nociceptin/mu 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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3.08n/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
Nociceptin/mu 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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3.76n/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
Nociceptin/mu 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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4.86n/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
Nociceptin/mu 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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5.72n/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/kappa opioid receptor


(GUINEA PIG)
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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n/an/a 2.72E+3n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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/kappa opioid receptor


(GUINEA PIG)
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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n/an/a 5.43E+3n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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/kappa opioid receptor


(GUINEA PIG)
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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n/an/a 7.03E+3n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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


(MOUSE)
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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Kobe Gakuin University

Curated by ChEMBL


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


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/kappa opioid receptor


(GUINEA PIG)
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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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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/kappa opioid receptor


(GUINEA PIG)
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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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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/kappa opioid receptor


(GUINEA PIG)
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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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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


(MOUSE)
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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Kobe Gakuin University

Curated by ChEMBL


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


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/kappa opioid receptor


(GUINEA PIG)
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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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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


(MOUSE)
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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Kobe Gakuin University

Curated by ChEMBL


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


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


(MOUSE)
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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Kobe Gakuin University

Curated by ChEMBL


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


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


(MOUSE)
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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Kobe Gakuin University

Curated by ChEMBL


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


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/kappa opioid receptor


(GUINEA PIG)
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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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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


(MOUSE)
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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Kobe Gakuin University

Curated by ChEMBL


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


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/kappa opioid receptor


(GUINEA PIG)
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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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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


(MOUSE)
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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Kobe Gakuin University

Curated by ChEMBL


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


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


(MOUSE)
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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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


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


(MOUSE)
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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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


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/kappa opioid receptor


(GUINEA PIG)
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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n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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


(MOUSE)
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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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


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/kappa opioid receptor


(GUINEA PIG)
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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n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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


(MOUSE)
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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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


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


(MOUSE)
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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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


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/kappa opioid receptor


(GUINEA PIG)
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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n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum


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
* indicates data uncertainty>20%