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PubMed code 8201592

Compile data set for download or QSAR
Found 27 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)
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 12n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 18n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50041663
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50041665
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-ethyl-3,3...)
Show SMILES C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t17-,21+,22+,23-,24-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50453339
PNG
(CHEMBL2372412)
Show SMILES CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22-,23-,24+,25+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50041665
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-ethyl-3,3...)
Show SMILES C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t17-,21+,22+,23-,24-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50453339
PNG
(CHEMBL2372412)
Show SMILES CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22-,23-,24+,25+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50041663
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 570n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50041666
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-hydro...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22+,23+,24+/m0/s1
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n/an/a 760n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50041666
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-hydro...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22+,23+,24+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50041668
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-ethyl...)
Show SMILES CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22+,23-,24+,25+/m0/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50041668
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-ethyl...)
Show SMILES CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22+,23-,24+,25+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50453339
PNG
(CHEMBL2372412)
Show SMILES CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22-,23-,24+,25+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50041665
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-ethyl-3,3...)
Show SMILES C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t17-,21+,22+,23-,24-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50453339
PNG
(CHEMBL2372412)
Show SMILES CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22-,23-,24+,25+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50041663
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1
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n/an/a>2.25E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50041668
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-ethyl...)
Show SMILES CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22+,23-,24+,25+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50041665
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-ethyl-3,3...)
Show SMILES C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t17-,21+,22+,23-,24-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/a>3.50E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50041663
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-10-hydroxyme...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22-,23+,24+/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50041666
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-hydro...)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)O
Show InChI InChI=1S/C31H43N5O8S2/c1-30(2)23(35-25(39)20(32)14-18-10-12-19(38)13-11-18)28(42)34-22(16-37)27(41)33-21(15-17-8-6-5-7-9-17)26(40)36-24(29(43)44)31(3,4)46-45-30/h5-13,20-24,29,37-38,43-44H,14-16,32H2,1-4H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t20-,21-,22+,23+,24+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50041668
PNG
(2-Amino-N-((S)-7-benzyl-4-dihydroxymethyl-10-ethyl...)
Show SMILES CC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C32H45N5O7S2/c1-6-22-27(40)35-23(17-18-10-8-7-9-11-18)28(41)37-25(30(43)44)32(4,5)46-45-31(2,3)24(29(42)34-22)36-26(39)21(33)16-19-12-14-20(38)15-13-19/h7-15,21-25,30,38,43-44H,6,16-17,33H2,1-5H3,(H,34,42)(H,35,40)(H,36,39)(H,37,41)/t21-,22+,23-,24+,25+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50041669
PNG
(2-Amino-N-(7-benzyl-4-dihydroxymethyl-3,3,10,14,14...)
Show SMILES C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 5.40E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity of the electrically induced guinea pig ileum longitudal muscle-myenteric plexus


J Med Chem 37: 1572-7 (1994)


Article DOI: 10.1021/jm00037a007
BindingDB Entry DOI: 10.7270/Q2DR2W47
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%