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PubMed code 25562563

Compile data set for download or QSAR
Found 18 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


(MOUSE)		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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 1.20n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor


(MOUSE)		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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 100n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50412279
PNG
(CHEMBL476121)
Show SMILES COc1c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c(OC)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3
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 830n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50412279
PNG
(CHEMBL476121)
Show SMILES COc1c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c(OC)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3
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 3.60E+3n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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 7.00E+3n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50060926
PNG
(CHEBI:4932 | CHEMBL312750)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
Show InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
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 1.20E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50412300
PNG
(SIDERITIFLAVONE)
Show SMILES COc1c(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c(OC)c1OC
Show InChI InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(8-4-5-9(19)10(20)6-8)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3
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 1.25E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50209218
PNG
(4',5,6,7,8-pentamethoxyflavone | 5,6,7,8,4'-Pentam...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
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 1.63E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50412300
PNG
(SIDERITIFLAVONE)
Show SMILES COc1c(O)c2c(oc(cc2=O)-c2ccc(O)c(O)c2)c(OC)c1OC
Show InChI InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(8-4-5-9(19)10(20)6-8)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3
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 1.85E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50060927
PNG
(CHEMBL3394775)
Show SMILES [H][C@]12CC(=O)C=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)(O)C=C |r,t:5|
Show InChI InChI=1S/C20H32O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,17,22H,1,8-11,13H2,2-6H3/t14-,17+,18?,19+,20+/m1/s1
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 2.35E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50060924
PNG
(CHEMBL3394774)
Show SMILES [H][C@]12O[C@@]1(C)[C@]1(C)CC[C@@H](C)[C@](C)(CCC(C)(O)C=C)[C@@]1([H])C[C@H]2O |r|
Show InChI InChI=1S/C20H34O3/c1-7-17(3,22)10-11-18(4)13(2)8-9-19(5)15(18)12-14(21)16-20(19,6)23-16/h7,13-16,21-22H,1,8-12H2,2-6H3/t13-,14-,15-,16-,17?,18+,19-,20-/m1/s1
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 2.50E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50060926
PNG
(CHEBI:4932 | CHEMBL312750)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
Show InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
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 2.80E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50412268
PNG
(CHEMBL74272)
Show SMILES COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C19H18O8/c1-23-13-7-9(5-6-10(13)20)12-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
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 3.75E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50060927
PNG
(CHEMBL3394775)
Show SMILES [H][C@]12CC(=O)C=C(C)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)(O)C=C |r,t:5|
Show InChI InChI=1S/C20H32O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,17,22H,1,8-11,13H2,2-6H3/t14-,17+,18?,19+,20+/m1/s1
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 4.05E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50412268
PNG
(CHEMBL74272)
Show SMILES COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C19H18O8/c1-23-13-7-9(5-6-10(13)20)12-8-11(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
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>5.00E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50060924
PNG
(CHEMBL3394774)
Show SMILES [H][C@]12O[C@@]1(C)[C@]1(C)CC[C@@H](C)[C@](C)(CCC(C)(O)C=C)[C@@]1([H])C[C@H]2O |r|
Show InChI InChI=1S/C20H34O3/c1-7-17(3,22)10-11-18(4)13(2)8-9-19(5)15(18)12-14(21)16-20(19,6)23-16/h7,13-16,21-22H,1,8-12H2,2-6H3/t13-,14-,15-,16-,17?,18+,19-,20-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50060925
PNG
(CHEBI:79628 | GARDENIN B)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3
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>5.00E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50060925
PNG
(CHEBI:79628 | GARDENIN B)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-9,21H,1-4H3
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>5.00E+4n/an/an/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting

J Nat Prod 78: 69-76 (2015)


Article DOI: 10.1021/np500671v
BindingDB Entry DOI: 10.7270/Q2Q52R9R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%