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PubMed code 9873602

Compile data set for download or QSAR
Found 11 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
Mu-type opioid receptor


(GUINEA PIG)		BDBM50071861
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-9...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O5S2/c1-28(2)23(24(30)35)33-26(37)21(15-17-6-4-3-5-7-17)31-27(38)22(16-39-12-13-40-28)32-25(36)20(29)14-18-8-10-19(34)11-9-18/h3-11,20-23,34H,12-16,29H2,1-2H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,37)/t20-,21-,22+,23+/m0/s1
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 0.290n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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 0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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 0.990n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50071860
PNG
(12-(2-Amino-3-phenyl-propionylamino)-9-benzyl-5,5-...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O4S2/c1-28(2)23(24(30)34)33-26(36)21(16-19-11-7-4-8-12-19)31-27(37)22(17-38-13-14-39-28)32-25(35)20(29)15-18-9-5-3-6-10-18/h3-12,20-23H,13-17,29H2,1-2H3,(H2,30,34)(H,31,37)(H,32,35)(H,33,36)/t20-,21-,22+,23+/m0/s1
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 1.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50071861
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-9...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O5S2/c1-28(2)23(24(30)35)33-26(37)21(15-17-6-4-3-5-7-17)31-27(38)22(16-39-12-13-40-28)32-25(36)20(29)14-18-8-10-19(34)11-9-18/h3-11,20-23,34H,12-16,29H2,1-2H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,37)/t20-,21-,22+,23+/m0/s1
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 25n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50071862
PNG
(10-(2-Amino-3-phenyl-propionylamino)-7-benzyl-3,3-...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2)21(25(34)35)30-23(32)19(14-17-11-7-4-8-12-17)28-24(33)20(15-36-37-26)29-22(31)18(27)13-16-9-5-3-6-10-16/h3-12,18-21H,13-15,27H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)(H,34,35)/t18-,19-,20+,21+/m0/s1
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 42n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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 52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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 567n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50071862
PNG
(10-(2-Amino-3-phenyl-propionylamino)-7-benzyl-3,3-...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2)21(25(34)35)30-23(32)19(14-17-11-7-4-8-12-17)28-24(33)20(15-36-37-26)29-22(31)18(27)13-16-9-5-3-6-10-16/h3-12,18-21H,13-15,27H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)(H,34,35)/t18-,19-,20+,21+/m0/s1
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 610n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50071860
PNG
(12-(2-Amino-3-phenyl-propionylamino)-9-benzyl-5,5-...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O4S2/c1-28(2)23(24(30)34)33-26(36)21(16-19-11-7-4-8-12-19)31-27(37)22(17-38-13-14-39-28)32-25(35)20(29)15-18-9-5-3-6-10-18/h3-12,20-23H,13-17,29H2,1-2H3,(H2,30,34)(H,31,37)(H,32,35)(H,33,36)/t20-,21-,22+,23+/m0/s1
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 1.02E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50071860
PNG
(12-(2-Amino-3-phenyl-propionylamino)-9-benzyl-5,5-...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O4S2/c1-28(2)23(24(30)34)33-26(36)21(16-19-11-7-4-8-12-19)31-27(37)22(17-38-13-14-39-28)32-25(35)20(29)15-18-9-5-3-6-10-18/h3-12,20-23H,13-17,29H2,1-2H3,(H2,30,34)(H,31,37)(H,32,35)(H,33,36)/t20-,21-,22+,23+/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonistic activity tested in vitro in guinea pig ileum opioid

Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%