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PubMed code 10633042

Compile data set for download or QSAR
Found 30 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)		BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 |TLB:16:15:5.22.4:7|
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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 0.0100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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 0.0520n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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 0.0530n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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 0.0730n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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 0.0920n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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 0.100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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 0.120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 |TLB:16:15:5.22.4:7|
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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 0.150n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50369519
PNG
(CHEMBL1202427)
Show SMILES Oc1ccc2C(=O)C3C4CCCCC4(CCN3CC3CCCO3)c2c1 |TLB:6:5:8:14.15.16,24:23:8:14.15.16,THB:17:16:8:4.5.23,9:8:14.15.16:4.5.23|
Show InChI InChI=1S/C21H27NO3/c23-14-6-7-16-18(12-14)21-8-2-1-5-17(21)19(20(16)24)22(10-9-21)13-15-4-3-11-25-15/h6-7,12,15,17,19,23H,1-5,8-11,13H2
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 0.180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50369518
PNG
(LEVORPHANOL HYDROCHLORIDE)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:9:11.12.18|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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 0.210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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 0.220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1 |TLB:16:15:5.22.4:7|
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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 0.270n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 0.360n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50369519
PNG
(CHEMBL1202427)
Show SMILES Oc1ccc2C(=O)C3C4CCCCC4(CCN3CC3CCCO3)c2c1 |TLB:6:5:8:14.15.16,24:23:8:14.15.16,THB:17:16:8:4.5.23,9:8:14.15.16:4.5.23|
Show InChI InChI=1S/C21H27NO3/c23-14-6-7-16-18(12-14)21-8-2-1-5-17(21)19(20(16)24)22(10-9-21)13-15-4-3-11-25-15/h6-7,12,15,17,19,23H,1-5,8-11,13H2
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 0.380n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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 0.580n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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 0.620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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 0.780n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50369519
PNG
(CHEMBL1202427)
Show SMILES Oc1ccc2C(=O)C3C4CCCCC4(CCN3CC3CCCO3)c2c1 |TLB:6:5:8:14.15.16,24:23:8:14.15.16,THB:17:16:8:4.5.23,9:8:14.15.16:4.5.23|
Show InChI InChI=1S/C21H27NO3/c23-14-6-7-16-18(12-14)21-8-2-1-5-17(21)19(20(16)24)22(10-9-21)13-15-4-3-11-25-15/h6-7,12,15,17,19,23H,1-5,8-11,13H2
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 1n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50369518
PNG
(LEVORPHANOL HYDROCHLORIDE)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:9:11.12.18|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50369518
PNG
(LEVORPHANOL HYDROCHLORIDE)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:9:11.12.18|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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 4.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50369520
PNG
(CHEMBL1202425)
Show SMILES Oc1ccc2C(=O)C3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:6:5:8:14.15.16,22:21:8:14.15.16,THB:17:16:8:4.5.21,9:8:14.15.16:4.5.21|
Show InChI InChI=1S/C20H25NO2/c22-14-6-7-15-17(11-14)20-8-2-1-3-16(20)18(19(15)23)21(10-9-20)12-13-4-5-13/h6-7,11,13,16,18,22H,1-5,8-10,12H2
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 24n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50369520
PNG
(CHEMBL1202425)
Show SMILES Oc1ccc2C(=O)C3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:6:5:8:14.15.16,22:21:8:14.15.16,THB:17:16:8:4.5.21,9:8:14.15.16:4.5.21|
Show InChI InChI=1S/C20H25NO2/c22-14-6-7-15-17(11-14)20-8-2-1-3-16(20)18(19(15)23)21(10-9-20)12-13-4-5-13/h6-7,11,13,16,18,22H,1-5,8-10,12H2
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 150n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50369520
PNG
(CHEMBL1202425)
Show SMILES Oc1ccc2C(=O)C3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:6:5:8:14.15.16,22:21:8:14.15.16,THB:17:16:8:4.5.21,9:8:14.15.16:4.5.21|
Show InChI InChI=1S/C20H25NO2/c22-14-6-7-15-17(11-14)20-8-2-1-3-16(20)18(19(15)23)21(10-9-20)12-13-4-5-13/h6-7,11,13,16,18,22H,1-5,8-10,12H2
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 240n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50083924
PNG
(8-Hydroxy-6,11-dimethyl-3-(tetrahydro-furan-2-ylme...)
Show SMILES C[C@H]1C2N(CC3CCCO3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:21.14.20:1,15:14:1:3.11.10,THB:22:21:1:3.11.10|
Show InChI InChI=1S/C19H25NO3/c1-12-17-18(22)15-6-5-13(21)10-16(15)19(12,2)7-8-20(17)11-14-4-3-9-23-14/h5-6,10,12,14,17,21H,3-4,7-9,11H2,1-2H3/t12-,14?,17?,19-/m0/s1
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 720n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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 2.50E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50083924
PNG
(8-Hydroxy-6,11-dimethyl-3-(tetrahydro-furan-2-ylme...)
Show SMILES C[C@H]1C2N(CC3CCCO3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:21.14.20:1,15:14:1:3.11.10,THB:22:21:1:3.11.10|
Show InChI InChI=1S/C19H25NO3/c1-12-17-18(22)15-6-5-13(21)10-16(15)19(12,2)7-8-20(17)11-14-4-3-9-23-14/h5-6,10,12,14,17,21H,3-4,7-9,11H2,1-2H3/t12-,14?,17?,19-/m0/s1
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 2.90E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50083924
PNG
(8-Hydroxy-6,11-dimethyl-3-(tetrahydro-furan-2-ylme...)
Show SMILES C[C@H]1C2N(CC3CCCO3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:21.14.20:1,15:14:1:3.11.10,THB:22:21:1:3.11.10|
Show InChI InChI=1S/C19H25NO3/c1-12-17-18(22)15-6-5-13(21)10-16(15)19(12,2)7-8-20(17)11-14-4-3-9-23-14/h5-6,10,12,14,17,21H,3-4,7-9,11H2,1-2H3/t12-,14?,17?,19-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane

J Med Chem 43: 114-22 (2000)


BindingDB Entry DOI: 10.7270/Q20V8DGH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%