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PubMed code 8384662

Compile data set for download or QSAR
Found 20 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)		BDBM50140906
PNG
(1-[2-[1-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoy...)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23+,24-,25-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50456337
PNG
(CHEMBL267708)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23+,24-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50456336
PNG
(CHEMBL2371360)
Show SMILES C[C@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C27H35N5O5/c1-17(31(2)26(36)21(28)15-19-10-12-20(33)13-11-19)25(35)30-22(16-18-7-4-3-5-8-18)27(37)32-14-6-9-23(32)24(29)34/h3-5,7-8,10-13,17,21-23,33H,6,9,14-16,28H2,1-2H3,(H2,29,34)(H,30,35)/t17-,21-,22-,23+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50456335
PNG
(CHEMBL2371359)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22+,23-,24-/m0/s1
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n/an/a 109n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50456332
PNG
(CHEMBL2371339)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23-,24-,25-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50456336
PNG
(CHEMBL2371360)
Show SMILES C[C@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C27H35N5O5/c1-17(31(2)26(36)21(28)15-19-10-12-20(33)13-11-19)25(35)30-22(16-18-7-4-3-5-8-18)27(37)32-14-6-9-23(32)24(29)34/h3-5,7-8,10-13,17,21-23,33H,6,9,14-16,28H2,1-2H3,(H2,29,34)(H,30,35)/t17-,21-,22-,23+/m0/s1
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University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50456334
PNG
(CHEMBL2371340)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22+,23+,24-/m0/s1
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University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50456335
PNG
(CHEMBL2371359)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22+,23-,24-/m0/s1
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n/an/a 594n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50140906
PNG
(1-[2-[1-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoy...)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23+,24-,25-/m0/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50456337
PNG
(CHEMBL267708)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23+,24-/m0/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50456332
PNG
(CHEMBL2371339)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23-,24-,25-/m0/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50456339
PNG
(CHEMBL2371336)
Show SMILES CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23+,24-,25+/m0/s1
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n/an/a 2.66E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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n/an/a 3.69E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50456334
PNG
(CHEMBL2371340)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22+,23+,24-/m0/s1
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n/an/a 4.81E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50456333
PNG
(CHEMBL2371361)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C26H33N5O5/c1-16(29-25(35)20(27)14-18-9-11-19(32)12-10-18)24(34)30-21(15-17-6-3-2-4-7-17)26(36)31-13-5-8-22(31)23(28)33/h2-4,6-7,9-12,16,20-22,32H,5,8,13-15,27H2,1H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,20-,21-,22+/m0/s1
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n/an/a 2.69E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50456333
PNG
(CHEMBL2371361)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C26H33N5O5/c1-16(29-25(35)20(27)14-18-9-11-19(32)12-10-18)24(34)30-21(15-17-6-3-2-4-7-17)26(36)31-13-5-8-22(31)23(28)33/h2-4,6-7,9-12,16,20-22,32H,5,8,13-15,27H2,1H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,20-,21-,22+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50456338
PNG
(CHEMBL2371337)
Show SMILES CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23-,24-,25+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50456339
PNG
(CHEMBL2371336)
Show SMILES CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23+,24-,25+/m0/s1
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n/an/a 5.65E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50456338
PNG
(CHEMBL2371337)
Show SMILES CN([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23-,24-,25+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay

J Med Chem 36: 708-19 (1993)


BindingDB Entry DOI: 10.7270/Q2Z03761
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%