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PubMed code 8289187

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Delta-type opioid receptor


(MOUSE)		BDBM50043717
PNG
(CHEMBL289006 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29+/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50043712
PNG
(CHEMBL286629 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.670n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.730n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043717
PNG
(CHEMBL289006 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29+/m0/s1
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n/an/a 0.870n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043712
PNG
(CHEMBL286629 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043713
PNG
(3-{(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H56N8O10S2/c1-21(2)30(36(56)43-20-28(42)50)46-38(58)32-40(5,6)60-59-39(3,4)31(47-33(53)25(41)18-23-12-14-24(49)15-13-23)37(57)45-27(19-22-10-8-7-9-11-22)35(55)44-26(34(54)48-32)16-17-29(51)52/h7-15,21,25-27,30-32,49H,16-20,41H2,1-6H3,(H2,42,50)(H,43,56)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,54)(H,51,52)/t25-,26-,27-,30-,31-,32+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50043713
PNG
(3-{(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H56N8O10S2/c1-21(2)30(36(56)43-20-28(42)50)46-38(58)32-40(5,6)60-59-39(3,4)31(47-33(53)25(41)18-23-12-14-24(49)15-13-23)37(57)45-27(19-22-10-8-7-9-11-22)35(55)44-26(34(54)48-32)16-17-29(51)52/h7-15,21,25-27,30-32,49H,16-20,41H2,1-6H3,(H2,42,50)(H,43,56)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,54)(H,51,52)/t25-,26-,27-,30-,31-,32+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043713
PNG
(3-{(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H56N8O10S2/c1-21(2)30(36(56)43-20-28(42)50)46-38(58)32-40(5,6)60-59-39(3,4)31(47-33(53)25(41)18-23-12-14-24(49)15-13-23)37(57)45-27(19-22-10-8-7-9-11-22)35(55)44-26(34(54)48-32)16-17-29(51)52/h7-15,21,25-27,30-32,49H,16-20,41H2,1-6H3,(H2,42,50)(H,43,56)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,54)(H,51,52)/t25-,26-,27-,30-,31-,32+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043713
PNG
(3-{(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H56N8O10S2/c1-21(2)30(36(56)43-20-28(42)50)46-38(58)32-40(5,6)60-59-39(3,4)31(47-33(53)25(41)18-23-12-14-24(49)15-13-23)37(57)45-27(19-22-10-8-7-9-11-22)35(55)44-26(34(54)48-32)16-17-29(51)52/h7-15,21,25-27,30-32,49H,16-20,41H2,1-6H3,(H2,42,50)(H,43,56)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,54)(H,51,52)/t25-,26-,27-,30-,31-,32+/m0/s1
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n/an/a 2.24n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043717
PNG
(CHEMBL289006 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29+/m0/s1
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n/an/a 2.98n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043719
PNG
(3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H60N10O10S2/c1-6-7-13-29(38(60)50-30(36(46)58)21-33(56)57)49-41(63)35-44(4,5)66-65-43(2,3)34(53-37(59)28(45)18-25-14-16-27(55)17-15-25)42(64)52-31(19-24-11-9-8-10-12-24)39(61)51-32(40(62)54-35)20-26-22-47-23-48-26/h8-12,14-17,22-23,28-32,34-35,55H,6-7,13,18-21,45H2,1-5H3,(H2,46,58)(H,47,48)(H,49,63)(H,50,60)(H,51,61)(H,52,64)(H,53,59)(H,54,62)(H,56,57)/t28-,29-,30-,31-,32-,34-,35+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043719
PNG
(3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H60N10O10S2/c1-6-7-13-29(38(60)50-30(36(46)58)21-33(56)57)49-41(63)35-44(4,5)66-65-43(2,3)34(53-37(59)28(45)18-25-14-16-27(55)17-15-25)42(64)52-31(19-24-11-9-8-10-12-24)39(61)51-32(40(62)54-35)20-26-22-47-23-48-26/h8-12,14-17,22-23,28-32,34-35,55H,6-7,13,18-21,45H2,1-5H3,(H2,46,58)(H,47,48)(H,49,63)(H,50,60)(H,51,61)(H,52,64)(H,53,59)(H,54,62)(H,56,57)/t28-,29-,30-,31-,32-,34-,35+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50043719
PNG
(3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H60N10O10S2/c1-6-7-13-29(38(60)50-30(36(46)58)21-33(56)57)49-41(63)35-44(4,5)66-65-43(2,3)34(53-37(59)28(45)18-25-14-16-27(55)17-15-25)42(64)52-31(19-24-11-9-8-10-12-24)39(61)51-32(40(62)54-35)20-26-22-47-23-48-26/h8-12,14-17,22-23,28-32,34-35,55H,6-7,13,18-21,45H2,1-5H3,(H2,46,58)(H,47,48)(H,49,63)(H,50,60)(H,51,61)(H,52,64)(H,53,59)(H,54,62)(H,56,57)/t28-,29-,30-,31-,32-,34-,35+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043719
PNG
(3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H60N10O10S2/c1-6-7-13-29(38(60)50-30(36(46)58)21-33(56)57)49-41(63)35-44(4,5)66-65-43(2,3)34(53-37(59)28(45)18-25-14-16-27(55)17-15-25)42(64)52-31(19-24-11-9-8-10-12-24)39(61)51-32(40(62)54-35)20-26-22-47-23-48-26/h8-12,14-17,22-23,28-32,34-35,55H,6-7,13,18-21,45H2,1-5H3,(H2,46,58)(H,47,48)(H,49,63)(H,50,60)(H,51,61)(H,52,64)(H,53,59)(H,54,62)(H,56,57)/t28-,29-,30-,31-,32-,34-,35+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043714
PNG
(CHEMBL288317 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043716
PNG
(CHEMBL2372212 | {(4R,10R,13S)-13-[(S)-2-Amino-3-(4...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H56N8O10S2/c1-6-7-13-26(34(54)43-21-29(42)50)44-37(57)32-40(4,5)60-59-39(2,3)31(47-33(53)25(41)18-23-14-16-24(49)17-15-23)38(58)46-27(19-22-11-9-8-10-12-22)35(55)45-28(20-30(51)52)36(56)48-32/h8-12,14-17,25-28,31-32,49H,6-7,13,18-21,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,56)(H,51,52)/t25-,26-,27-,28-,31-,32+/m0/s1
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n/an/a 4.83n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50043716
PNG
(CHEMBL2372212 | {(4R,10R,13S)-13-[(S)-2-Amino-3-(4...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H56N8O10S2/c1-6-7-13-26(34(54)43-21-29(42)50)44-37(57)32-40(4,5)60-59-39(2,3)31(47-33(53)25(41)18-23-14-16-24(49)17-15-23)38(58)46-27(19-22-11-9-8-10-12-22)35(55)45-28(20-30(51)52)36(56)48-32/h8-12,14-17,25-28,31-32,49H,6-7,13,18-21,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,56)(H,51,52)/t25-,26-,27-,28-,31-,32+/m0/s1
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n/an/a 4.83n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043716
PNG
(CHEMBL2372212 | {(4R,10R,13S)-13-[(S)-2-Amino-3-(4...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H56N8O10S2/c1-6-7-13-26(34(54)43-21-29(42)50)44-37(57)32-40(4,5)60-59-39(2,3)31(47-33(53)25(41)18-23-14-16-24(49)17-15-23)38(58)46-27(19-22-11-9-8-10-12-22)35(55)45-28(20-30(51)52)36(56)48-32/h8-12,14-17,25-28,31-32,49H,6-7,13,18-21,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,56)(H,51,52)/t25-,26-,27-,28-,31-,32+/m0/s1
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n/an/a 4.83n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043716
PNG
(CHEMBL2372212 | {(4R,10R,13S)-13-[(S)-2-Amino-3-(4...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H56N8O10S2/c1-6-7-13-26(34(54)43-21-29(42)50)44-37(57)32-40(4,5)60-59-39(2,3)31(47-33(53)25(41)18-23-14-16-24(49)17-15-23)38(58)46-27(19-22-11-9-8-10-12-22)35(55)45-28(20-30(51)52)36(56)48-32/h8-12,14-17,25-28,31-32,49H,6-7,13,18-21,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,56)(H,51,52)/t25-,26-,27-,28-,31-,32+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043717
PNG
(CHEMBL289006 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O
Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29+/m0/s1
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n/an/a 5.15n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50043714
PNG
(CHEMBL288317 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043715
PNG
(CHEMBL284621 | {(4R,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31+/m0/s1
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n/an/a 210n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50043715
PNG
(CHEMBL284621 | {(4R,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31+/m0/s1
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n/an/a 920n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043712
PNG
(CHEMBL286629 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043715
PNG
(CHEMBL284621 | {(4R,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 1.68E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 1.68E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 2.89E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 2.89E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50043718
PNG
((4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O9S2/c1-20(2)28(34(53)41-18-27(40)49)44-36(55)30-38(5,6)57-56-37(3,4)29(45-31(50)24(39)16-22-12-14-23(48)15-13-22)35(54)42-25(17-21-10-8-7-9-11-21)32(51)43-26(19-47)33(52)46-30/h7-15,20,24-26,28-30,47-48H,16-19,39H2,1-6H3,(H2,40,49)(H,41,53)(H,42,54)(H,43,51)(H,44,55)(H,45,50)(H,46,52)/t24-,25-,26-,28-,29-,30+/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043718
PNG
((4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O9S2/c1-20(2)28(34(53)41-18-27(40)49)44-36(55)30-38(5,6)57-56-37(3,4)29(45-31(50)24(39)16-22-12-14-23(48)15-13-22)35(54)42-25(17-21-10-8-7-9-11-21)32(51)43-26(19-47)33(52)46-30/h7-15,20,24-26,28-30,47-48H,16-19,39H2,1-6H3,(H2,40,49)(H,41,53)(H,42,54)(H,43,51)(H,44,55)(H,45,50)(H,46,52)/t24-,25-,26-,28-,29-,30+/m0/s1
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University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043718
PNG
((4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O9S2/c1-20(2)28(34(53)41-18-27(40)49)44-36(55)30-38(5,6)57-56-37(3,4)29(45-31(50)24(39)16-22-12-14-23(48)15-13-22)35(54)42-25(17-21-10-8-7-9-11-21)32(51)43-26(19-47)33(52)46-30/h7-15,20,24-26,28-30,47-48H,16-19,39H2,1-6H3,(H2,40,49)(H,41,53)(H,42,54)(H,43,51)(H,44,55)(H,45,50)(H,46,52)/t24-,25-,26-,28-,29-,30+/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043718
PNG
((4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O9S2/c1-20(2)28(34(53)41-18-27(40)49)44-36(55)30-38(5,6)57-56-37(3,4)29(45-31(50)24(39)16-22-12-14-23(48)15-13-22)35(54)42-25(17-21-10-8-7-9-11-21)32(51)43-26(19-47)33(52)46-30/h7-15,20,24-26,28-30,47-48H,16-19,39H2,1-6H3,(H2,40,49)(H,41,53)(H,42,54)(H,43,51)(H,44,55)(H,45,50)(H,46,52)/t24-,25-,26-,28-,29-,30+/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50009180
PNG
(3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043712
PNG
(CHEMBL286629 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/m0/s1
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n/an/a 3.76E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043711
PNG
(2-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H59N9O11S2/c1-6-7-13-29(37(58)51-32(42(63)64)21-33(55)56)48-40(61)35-44(4,5)66-65-43(2,3)34(52-36(57)28(45)18-25-14-16-27(54)17-15-25)41(62)50-30(19-24-11-9-8-10-12-24)38(59)49-31(39(60)53-35)20-26-22-46-23-47-26/h8-12,14-17,22-23,28-32,34-35,54H,6-7,13,18-21,45H2,1-5H3,(H,46,47)(H,48,61)(H,49,59)(H,50,62)(H,51,58)(H,52,57)(H,53,60)(H,55,56)(H,63,64)/t28-,29-,30-,31-,32-,34-,35+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043711
PNG
(2-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H59N9O11S2/c1-6-7-13-29(37(58)51-32(42(63)64)21-33(55)56)48-40(61)35-44(4,5)66-65-43(2,3)34(52-36(57)28(45)18-25-14-16-27(54)17-15-25)41(62)50-30(19-24-11-9-8-10-12-24)38(59)49-31(39(60)53-35)20-26-22-46-23-47-26/h8-12,14-17,22-23,28-32,34-35,54H,6-7,13,18-21,45H2,1-5H3,(H,46,47)(H,48,61)(H,49,59)(H,50,62)(H,51,58)(H,52,57)(H,53,60)(H,55,56)(H,63,64)/t28-,29-,30-,31-,32-,34-,35+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043711
PNG
(2-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...)
Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H59N9O11S2/c1-6-7-13-29(37(58)51-32(42(63)64)21-33(55)56)48-40(61)35-44(4,5)66-65-43(2,3)34(52-36(57)28(45)18-25-14-16-27(54)17-15-25)41(62)50-30(19-24-11-9-8-10-12-24)38(59)49-31(39(60)53-35)20-26-22-46-23-47-26/h8-12,14-17,22-23,28-32,34-35,54H,6-7,13,18-21,45H2,1-5H3,(H,46,47)(H,48,61)(H,49,59)(H,50,62)(H,51,58)(H,52,57)(H,53,60)(H,55,56)(H,63,64)/t28-,29-,30-,31-,32-,34-,35+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043715
PNG
(CHEMBL284621 | {(4R,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31+/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50043714
PNG
(CHEMBL288317 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50043714
PNG
(CHEMBL288317 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31-/m0/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus

J Med Chem 37: 141-5 (1994)


BindingDB Entry DOI: 10.7270/Q2F47N7P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%