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PubMed code 6106064

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
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222462
PNG
(CHEMBL177893)
Show SMILES CS(O)(=O)=O.C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCF |r,TLB:14:15:6:18.20.19,21:20:15.9.8:6|
Show InChI InChI=1S/C16H22FNO.CH4O3S/c1-11-15-9-12-3-4-13(19)10-14(12)16(11,2)5-7-18(15)8-6-17;1-5(2,3)4/h3-4,10-11,15,19H,5-9H2,1-2H3;1H3,(H,2,3,4)/t11-,15?,16-;/m0./s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222462
PNG
(CHEMBL177893)
Show SMILES CS(O)(=O)=O.C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCF |r,TLB:14:15:6:18.20.19,21:20:15.9.8:6|
Show InChI InChI=1S/C16H22FNO.CH4O3S/c1-11-15-9-12-3-4-13(19)10-14(12)16(11,2)5-7-18(15)8-6-17;1-5(2,3)4/h3-4,10-11,15,19H,5-9H2,1-2H3;1H3,(H,2,3,4)/t11-,15?,16-;/m0./s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50037479
PNG
((6S,11R)-3-Ethyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|
Show InChI InChI=1S/C16H23NO/c1-4-17-8-7-16(3)11(2)15(17)9-12-5-6-13(18)10-14(12)16/h5-6,10-11,15,18H,4,7-9H2,1-3H3/t11-,15?,16-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50037479
PNG
((6S,11R)-3-Ethyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|
Show InChI InChI=1S/C16H23NO/c1-4-17-8-7-16(3)11(2)15(17)9-12-5-6-13(18)10-14(12)16/h5-6,10-11,15,18H,4,7-9H2,1-3H3/t11-,15?,16-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222463
PNG
(CHEMBL178062)
Show SMILES CS(O)(=O)=O.C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC(F)F |r,TLB:14:15:6:18.20.19,21:20:15.9.8:6|
Show InChI InChI=1S/C16H21F2NO.CH4O3S/c1-10-14-7-11-3-4-12(20)8-13(11)16(10,2)5-6-19(14)9-15(17)18;1-5(2,3)4/h3-4,8,10,14-15,20H,5-7,9H2,1-2H3;1H3,(H,2,3,4)/t10-,14?,16-;/m0./s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222463
PNG
(CHEMBL178062)
Show SMILES CS(O)(=O)=O.C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC(F)F |r,TLB:14:15:6:18.20.19,21:20:15.9.8:6|
Show InChI InChI=1S/C16H21F2NO.CH4O3S/c1-10-14-7-11-3-4-12(20)8-13(11)16(10,2)5-6-19(14)9-15(17)18;1-5(2,3)4/h3-4,8,10,14-15,20H,5-7,9H2,1-2H3;1H3,(H,2,3,4)/t10-,14?,16-;/m0./s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222465
PNG
(CHEMBL174811)
Show SMILES CS(O)(=O)=O.C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC(F)(F)F |r,TLB:14:15:6:18.20.19,21:20:15.9.8:6|
Show InChI InChI=1S/C16H20F3NO.CH4O3S/c1-10-14-7-11-3-4-12(21)8-13(11)15(10,2)5-6-20(14)9-16(17,18)19;1-5(2,3)4/h3-4,8,10,14,21H,5-7,9H2,1-2H3;1H3,(H,2,3,4)/t10-,14?,15-;/m0./s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222465
PNG
(CHEMBL174811)
Show SMILES CS(O)(=O)=O.C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC(F)(F)F |r,TLB:14:15:6:18.20.19,21:20:15.9.8:6|
Show InChI InChI=1S/C16H20F3NO.CH4O3S/c1-10-14-7-11-3-4-12(21)8-13(11)15(10,2)5-6-20(14)9-16(17,18)19;1-5(2,3)4/h3-4,8,10,14,21H,5-7,9H2,1-2H3;1H3,(H,2,3,4)/t10-,14?,15-;/m0./s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222464
PNG
(CHEMBL366585)
Show SMILES Cl.CCOC(=O)C1(CCN(CC)CC1)c1ccccc1
Show InChI InChI=1S/C16H23NO2/c1-3-17-12-10-16(11-13-17,15(18)19-4-2)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222461
PNG
(CHEMBL368974)
Show SMILES Cl.CCOC(=O)C1(CCN(CC(F)(F)F)CC1)c1ccccc1
Show InChI InChI=1S/C16H20F3NO2/c1-2-22-14(21)15(13-6-4-3-5-7-13)8-10-20(11-9-15)12-16(17,18)19/h3-7H,2,8-12H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222466
PNG
(CHEMBL176525)
Show SMILES Cl.CCOC(=O)C1(CCN(CCF)CC1)c1ccccc1
Show InChI InChI=1S/C16H22FNO2/c1-2-20-15(19)16(14-6-4-3-5-7-14)8-11-18(12-9-16)13-10-17/h3-7H,2,8-13H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222461
PNG
(CHEMBL368974)
Show SMILES Cl.CCOC(=O)C1(CCN(CC(F)(F)F)CC1)c1ccccc1
Show InChI InChI=1S/C16H20F3NO2/c1-2-22-14(21)15(13-6-4-3-5-7-13)8-10-20(11-9-15)12-16(17,18)19/h3-7H,2,8-12H2,1H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222466
PNG
(CHEMBL176525)
Show SMILES Cl.CCOC(=O)C1(CCN(CCF)CC1)c1ccccc1
Show InChI InChI=1S/C16H22FNO2/c1-2-20-15(19)16(14-6-4-3-5-7-14)8-11-18(12-9-16)13-10-17/h3-7H,2,8-13H2,1H3
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n/an/a 6.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222460
PNG
(CHEMBL175071)
Show SMILES Cl.CCOC(=O)C1(CCN(CC(F)F)CC1)c1ccccc1
Show InChI InChI=1S/C16H21F2NO2/c1-2-21-15(20)16(13-6-4-3-5-7-13)8-10-19(11-9-16)12-14(17)18/h3-7,14H,2,8-12H2,1H3
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n/an/a 8.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222460
PNG
(CHEMBL175071)
Show SMILES Cl.CCOC(=O)C1(CCN(CC(F)F)CC1)c1ccccc1
Show InChI InChI=1S/C16H21F2NO2/c1-2-21-15(20)16(13-6-4-3-5-7-13)8-10-19(11-9-16)12-14(17)18/h3-7,14H,2,8-12H2,1H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50222464
PNG
(CHEMBL366585)
Show SMILES Cl.CCOC(=O)C1(CCN(CC)CC1)c1ccccc1
Show InChI InChI=1S/C16H23NO2/c1-3-17-12-10-16(11-13-17,15(18)19-4-2)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl

J Med Chem 23: 985-90 (1980)


BindingDB Entry DOI: 10.7270/Q2HD7XT0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%