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Compile Data Set for Download or QSAR

Found 266 hits with Last Name = 'yoshino' and Initial = 'h'   
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=1/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-type 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-type 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=1/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-type 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
Opioid receptors; mu/kappa/delta


(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-type 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=1/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-type 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-type 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=1/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-type 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-type 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-type 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=1/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-/s2
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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
Opioid receptors; mu/kappa/delta


(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=1/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
Opioid receptors; mu/kappa/delta


(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
Opioid receptors; mu/kappa/delta


(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
Opioid receptors; mu/kappa/delta


(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=1/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
Opioid receptors; mu/kappa/delta


(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
Opioid receptors; mu/kappa/delta


(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
Opioid receptors; mu/kappa/delta


(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
Opioid receptors; mu/kappa/delta


(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=1/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-/s2
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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=1/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-/s2
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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-type 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-type 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-type 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-type 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=1/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-type 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-type 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
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268430
PNG
((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...)
Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O
Show InChI InChI=1/C28H40N4O4/c1-17(2)24(32(6)27(36)21(29)15-18-10-8-7-9-11-18)26(35)31-22(25(30)34)16-19-12-13-23(33)20(14-19)28(3,4)5/h7-14,17,21-22,24,33H,15-16,29H2,1-6H3,(H2,30,34)(H,31,35)/t21-,22-,24-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
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


(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=1/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


(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
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268433
PNG
((S)-2-((S)-2-amino-N-methyl-3-phenylpropanamido)-N...)
Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C)Cc1ccc(O)c(c1)C(C)(C)C
Show InChI InChI=1/C28H41N3O3/c1-18(2)25(31(7)27(34)23(29)17-20-11-9-8-10-12-20)26(33)30-19(3)15-21-13-14-24(32)22(16-21)28(4,5)6/h8-14,16,18-19,23,25,32H,15,17,29H2,1-7H3,(H,30,33)/t19-,23+,25+/s2
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n/an/a 1.90n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
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
Kappa-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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n/an/a 2.60n/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


(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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n/an/a 2.60n/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
Delta-type opioid receptor


(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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n/an/a 3n/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
Delta-type opioid receptor


(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=1/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 3.70n/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
Delta-type opioid receptor


(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=1/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 3.80n/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
Motilin receptor


(Oryctolagus cuniculus)
BDBM50268432
PNG
((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...)
Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O
Show InChI InChI=1/C29H42N4O4/c1-18(2)25(33(7)27(36)22(30)16-19-11-9-8-10-12-19)28(37)32(6)23(26(31)35)17-20-13-14-24(34)21(15-20)29(3,4)5/h8-15,18,22-23,25,34H,16-17,30H2,1-7H3,(H2,31,35)/t22-,23-,25-/s2
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n/an/a 4.30n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate


Bioorg Med Chem Lett 19: 3426-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.059
BindingDB Entry DOI: 10.7270/Q2445MCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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 4.60n/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
Delta-type opioid receptor


(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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n/an/a 4.80n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
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 4.90n/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
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