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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'kaneko' and Initial = 't'   
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
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50010542
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72)
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0.770n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010542
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72)
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1n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50010538
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010537
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50010535
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50010536
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010545
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74)
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1.70n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50010534
PNG
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010536
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010535
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50010545
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74)
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3.90n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010534
PNG
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010538
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50010537
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010545
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74)
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18n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010538
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1
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24n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010534
PNG
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1
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27n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010542
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72)
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29n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010537
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1
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30n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010536
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1
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39n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50010535
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1
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54n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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630n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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n/an/a 0.00700n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD).


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010538
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010534
PNG
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010535
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010545
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74)
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n/an/a 0.5n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010540
PNG
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
Show InChI InChI=1S/C49H79N15O9/c1-7-55-43(69)37(23-29(2)3)63-45(71)35(16-12-22-57-49(52)53)61-44(70)34(15-11-21-56-48(50)51)62-46(72)38(24-30(4)5)64-47(73)39(26-31-13-9-8-10-14-31)60-41(67)28-58-40(66)27-59-42(68)36(54-6)25-32-17-19-33(65)20-18-32/h8-10,13-14,17-20,29-30,34-39,54,65H,7,11-12,15-16,21-28H2,1-6H3,(H,55,69)(H,58,66)(H,59,68)(H,60,67)(H,61,70)(H,62,72)(H,63,71)(H,64,73)(H4,50,51,56)(H4,52,53,57)/t34-,35-,36-,37-,38-,39+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50010546
PNG
(2-{5-Guanidino-2-[5-guanidino-2-({2-[2-(2-{2-[3-(4...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-43(69)33(14-10-20-55-47(50)51)60-45(71)38(15-11-21-56-48(52)53)63(6)46(72)37(23-29(3)4)62-44(70)36(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,71)(H,61,69)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36+,37-,38-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327428
PNG
( N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoro-1-methoxycycl...)
Show SMILES CCC1([C@H]2CN(CCCC3(CCC(F)(F)CC3)OC)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C26H38F2N2O3S/c1-3-26(19-6-4-7-20(16-19)29-34(31,32)21-8-9-21)22-17-30(18-23(22)26)15-5-10-24(33-2)11-13-25(27,28)14-12-24/h4,6-7,16,21-23,29H,3,5,8-15,17-18H2,1-2H3/t22-,23+,26?
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010542
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O
Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72)
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n/an/a 1.30n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327443
PNG
(N-{3-[(1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexan-6-y...)
Show SMILES CCC1([C@H]2CNC[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C16H22N2O2S/c1-2-16(14-9-17-10-15(14)16)11-4-3-5-12(8-11)18-21(19,20)13-6-7-13/h3-5,8,13-15,17-18H,2,6-7,9-10H2,1H3/t14-,15+,16?
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n/an/a 1.30n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327436
PNG
(N-(3-{(1R,5S,6r)-3-[3-(1-ethoxy-4,4-difluorocycloh...)
Show SMILES CCOC1(CCCN2C[C@H]3[C@@H](C2)C3(CC)c2cccc(NS(=O)(=O)C3CC3)c2)CCC(F)(F)CC1
Show InChI InChI=1S/C27H40F2N2O3S/c1-3-27(20-7-5-8-21(17-20)30-35(32,33)22-9-10-22)23-18-31(19-24(23)27)16-6-11-25(34-4-2)12-14-26(28,29)15-13-25/h5,7-8,17,22-24,30H,3-4,6,9-16,18-19H2,1-2H3/t23-,24+,27?
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SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327429
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoropiperidin-1-yl)...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)CC3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C24H35F2N3O2S/c1-2-24(18-5-3-6-19(15-18)27-32(30,31)20-7-8-20)21-16-29(17-22(21)24)12-4-11-28-13-9-23(25,26)10-14-28/h3,5-6,15,20-22,27H,2,4,7-14,16-17H2,1H3/t21-,22+,24?
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n/an/a 1.40n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010536
PNG
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327426
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluorocyclohexyl)prop...)
Show SMILES CCC1([C@H]2CN(CCCC3CCC(F)(F)CC3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C25H36F2N2O2S/c1-2-25(19-6-3-7-20(15-19)28-32(30,31)21-8-9-21)22-16-29(17-23(22)25)14-4-5-18-10-12-24(26,27)13-11-18/h3,6-7,15,18,21-23,28H,2,4-5,8-14,16-17H2,1H3/t22-,23+,25?
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SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327423
PNG
( N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-hydroxy-2,3-dihydr...)
Show SMILES CCC1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C26H32N2O3S/c1-2-26(20-8-5-9-21(12-20)27-32(30,31)22-10-11-22)23-15-28(16-24(23)26)17-25(29)13-18-6-3-4-7-19(18)14-25/h3-9,12,22-24,27,29H,2,10-11,13-17H2,1H3/t23-,24+,26?
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n/an/a 1.5n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327427
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluorocyclohexyl)prop...)
Show SMILES CCC1([C@H]2CN(CCCC3CCC(F)(F)CC3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C25H35F3N2O2S/c1-2-25(20-14-18(5-8-23(20)26)29-33(31,32)19-6-7-19)21-15-30(16-22(21)25)13-3-4-17-9-11-24(27,28)12-10-17/h5,8,14,17,19,21-22,29H,2-4,6-7,9-13,15-16H2,1H3/t21-,22+,25?
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n/an/a 1.60n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327437
PNG
(N-(3-{(1R,5S,6r)-3-[3-(4,4-difluoropiperidin-1-yl)...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)CC3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C24H34F3N3O2S/c1-2-24(19-14-17(4-7-22(19)25)28-33(31,32)18-5-6-18)20-15-30(16-21(20)24)11-3-10-29-12-8-23(26,27)9-13-29/h4,7,14,18,20-21,28H,2-3,5-6,8-13,15-16H2,1H3/t20-,21+,24?
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n/an/a 1.70n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327424
PNG
(N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-hydroxy-2,3-dihydro...)
Show SMILES CCC1([C@H]2CN(CC3(O)Cc4ccccc4C3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C26H31FN2O3S/c1-2-26(21-11-19(7-10-24(21)27)28-33(31,32)20-8-9-20)22-14-29(15-23(22)26)16-25(30)12-17-5-3-4-6-18(17)13-25/h3-7,10-11,20,22-23,28,30H,2,8-9,12-16H2,1H3/t22-,23+,26?
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n/an/a 2n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50010535
PNG
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM327431
PNG
(N-(3-{(1R,5S,6r)-3-[3-(3,3-difluoropyrrolidin-1-yl...)
Show SMILES CCC1([C@H]2CN(CCCN3CCC(F)(F)C3)C[C@@H]12)c1cc(NS(=O)(=O)C2CC2)ccc1F
Show InChI InChI=1S/C23H32F3N3O2S/c1-2-23(18-12-16(4-7-21(18)24)27-32(30,31)17-5-6-17)19-13-29(14-20(19)23)10-3-9-28-11-8-22(25,26)15-28/h4,7,12,17,19-20,27H,2-3,5-6,8-11,13-15H2,1H3/t19-,20+,23?
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SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50010543
PNG
(6-Guanidino-2-{2-[2-(2-{2-[3-(4-hydroxy-phenyl)-2-...)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)34(15-11-21-56-48(52)53)60-43(69)33(14-9-10-20-55-47(50)51)61-45(71)37(23-29(3)4)63-46(72)38(25-30-12-7-6-8-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h6-8,12-13,16-19,28-29,33-38,54,64H,9-11,14-15,20-27H2,1-5H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37-,38+/m0/s1
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Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair
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