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PubMed code 7996550

Compile data set for download or QSAR
Found 12 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)		BDBM50038411
PNG
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-6-benzy...)
Show SMILES CC(C)(S)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2,37)21-25(35)30(24(34)18(27)12-16-8-10-17(31)11-9-16)20(14-36)23(33)28-19(22(32)29-21)13-15-6-4-3-5-7-15/h3-11,18-21,31,36-37H,12-14,27H2,1-2H3,(H,28,33)(H,29,32)/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 of the compound for delta opioid receptor using [3H]-DPDPE from mouse vas deferens

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50038410
PNG
(4-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-9-benzy...)
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N([C@@H](CS)C1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S |r|
Show InChI InChI=1S/C27H34N4O5S2/c1-27(2,38)22-26(36)31(24(34)19(28)13-17-9-11-18(32)12-10-17)21(15-37)25(35)30(3)20(23(33)29-22)14-16-7-5-4-6-8-16/h4-12,19-22,32,37-38H,13-15,28H2,1-3H3,(H,29,33)/t19-,20-,21-,22-/m0/s1
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 1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity of the compound for delta opioid receptor using [3H]-DPDPE from mouse vas deferens

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50038411
PNG
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-6-benzy...)
Show SMILES CC(C)(S)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2,37)21-25(35)30(24(34)18(27)12-16-8-10-17(31)11-9-16)20(14-36)23(33)28-19(22(32)29-21)13-15-6-4-3-5-7-15/h3-11,18-21,31,36-37H,12-14,27H2,1-2H3,(H,28,33)(H,29,32)/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 of the compound against mu opioid receptor using [3H]-DAMGO in guinea pig ileum

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50453519
PNG
(CHEMBL2370835)
Show SMILES CC(C)(S)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2,37)21-25(35)30(24(34)18(27)12-16-8-10-17(31)11-9-16)20(14-36)23(33)28-19(22(32)29-21)13-15-6-4-3-5-7-15/h3-11,18-21,31,36-37H,12-14,27H2,1-2H3,(H,28,33)(H,29,32)/t18-,19+,20-,21-/m0/s1
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 70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity of the compound for delta opioid receptor using [3H]-DPDPE from mouse vas deferens

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50038410
PNG
(4-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-9-benzy...)
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N([C@@H](CS)C1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S |r|
Show InChI InChI=1S/C27H34N4O5S2/c1-27(2,38)22-26(36)31(24(34)19(28)13-17-9-11-18(32)12-10-17)21(15-37)25(35)30(3)20(23(33)29-22)14-16-7-5-4-6-8-16/h4-12,19-22,32,37-38H,13-15,28H2,1-3H3,(H,29,33)/t19-,20-,21-,22-/m0/s1
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 237n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity of the compound for delta opioid receptor using [3H]-DPDPE from mouse vas deferens

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50453519
PNG
(CHEMBL2370835)
Show SMILES CC(C)(S)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2,37)21-25(35)30(24(34)18(27)12-16-8-10-17(31)11-9-16)20(14-36)23(33)28-19(22(32)29-21)13-15-6-4-3-5-7-15/h3-11,18-21,31,36-37H,12-14,27H2,1-2H3,(H,28,33)(H,29,32)/t18-,19+,20-,21-/m0/s1
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 2.53E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu opioid receptor using [3H]-DAMGO in guinea pig ileum

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50038410
PNG
(4-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-9-benzy...)
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N([C@@H](CS)C1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S |r|
Show InChI InChI=1S/C27H34N4O5S2/c1-27(2,38)22-26(36)31(24(34)19(28)13-17-9-11-18(32)12-10-17)21(15-37)25(35)30(3)20(23(33)29-22)14-16-7-5-4-6-8-16/h4-12,19-22,32,37-38H,13-15,28H2,1-3H3,(H,29,33)/t19-,20-,21-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu opioid receptor using [3H]-DAMGO in guinea pig ileum

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50038411
PNG
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-6-benzy...)
Show SMILES CC(C)(S)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2,37)21-25(35)30(24(34)18(27)12-16-8-10-17(31)11-9-16)20(14-36)23(33)28-19(22(32)29-21)13-15-6-4-3-5-7-15/h3-11,18-21,31,36-37H,12-14,27H2,1-2H3,(H,28,33)(H,29,32)/t18-,19-,20-,21+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity of the compound was assessed in mouse vas deferens (MVD) smooth muscle bioassay

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50038410
PNG
(4-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-9-benzy...)
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N([C@@H](CS)C1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S |r|
Show InChI InChI=1S/C27H34N4O5S2/c1-27(2,38)22-26(36)31(24(34)19(28)13-17-9-11-18(32)12-10-17)21(15-37)25(35)30(3)20(23(33)29-22)14-16-7-5-4-6-8-16/h4-12,19-22,32,37-38H,13-15,28H2,1-3H3,(H,29,33)/t19-,20-,21-,22-/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity of the compound was assessed in mouse vas deferens (MVD) smooth muscle bioassay

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50038411
PNG
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-6-benzy...)
Show SMILES CC(C)(S)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2,37)21-25(35)30(24(34)18(27)12-16-8-10-17(31)11-9-16)20(14-36)23(33)28-19(22(32)29-21)13-15-6-4-3-5-7-15/h3-11,18-21,31,36-37H,12-14,27H2,1-2H3,(H,28,33)(H,29,32)/t18-,19-,20-,21+/m0/s1
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n/an/a 463n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity of the compound was assessed in an guinea pig ileum (GPI) smooth muscle bioassay

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50038410
PNG
(4-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-9-benzy...)
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N([C@@H](CS)C1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S |r|
Show InChI InChI=1S/C27H34N4O5S2/c1-27(2,38)22-26(36)31(24(34)19(28)13-17-9-11-18(32)12-10-17)21(15-37)25(35)30(3)20(23(33)29-22)14-16-7-5-4-6-8-16/h4-12,19-22,32,37-38H,13-15,28H2,1-3H3,(H,29,33)/t19-,20-,21-,22-/m0/s1
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n/an/a 3.73E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity of the compound was assessed in an guinea pig ileum (GPI) smooth muscle bioassay

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50038410
PNG
(4-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-9-benzy...)
Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N([C@@H](CS)C1=O)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)S |r|
Show InChI InChI=1S/C27H34N4O5S2/c1-27(2,38)22-26(36)31(24(34)19(28)13-17-9-11-18(32)12-10-17)21(15-37)25(35)30(3)20(23(33)29-22)14-16-7-5-4-6-8-16/h4-12,19-22,32,37-38H,13-15,28H2,1-3H3,(H,29,33)/t19-,20-,21-,22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity of the compound was assessed in an guinea pig ileum (GPI) smooth muscle bioassay

J Med Chem 37: 4384-91 (1995)


BindingDB Entry DOI: 10.7270/Q2862FH1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%