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PubMed code 11425545

Compile data set for download or QSAR
Found 22 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)		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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 0.170n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
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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 0.180n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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 0.310n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
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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 0.320n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor mu 1 using radioligand [3H]DAMGO

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50101160
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)
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 0.410n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor mu 1 using radioligand [3H]DAMGO

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50101160
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3|
Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)
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 0.530n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U69,593

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		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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 0.880n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50128411
PNG
(3-desoxy-3-carboxamidonaltrexone | 4-cyclopropylme...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1
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 1.90n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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 11n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes using radioligand 0.2 nM [3H]Naltrindole

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50128411
PNG
(3-desoxy-3-carboxamidonaltrexone | 4-cyclopropylme...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1
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 22n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		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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 24n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50101158
PNG
(14-hydroxy-4-methyl-(1S,5R,17R)-12-oxa-4-azapentac...)
Show SMILES CN1CC[C@@]23C4Oc5c2c(C[C@@H]1[C@@H]3C=CC4O)ccc5C(N)=O |c:16|
Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-5,11-13,16,21H,6-8H2,1H3,(H2,19,22)/t11-,12+,13?,16?,18-/m0/s1
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 34n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50128411
PNG
(3-desoxy-3-carboxamidonaltrexone | 4-cyclopropylme...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1
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 110n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes using radioligand 0.2 nM [3H]Naltrindole

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Delta-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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 140n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes using radioligand 0.2 nM [3H]Naltrindole

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50101162
PNG
(4,10N-dimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-4-aza...)
Show SMILES CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:11|
Show InChI InChI=1S/C19H22N2O3/c1-20-18(23)11-4-3-10-9-13-12-5-6-14(22)17-19(12,7-8-21(13)2)15(10)16(11)24-17/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,20,23)/t12-,13+,14?,17?,19-/m0/s1
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 440n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50101158
PNG
(14-hydroxy-4-methyl-(1S,5R,17R)-12-oxa-4-azapentac...)
Show SMILES CN1CC[C@@]23C4Oc5c2c(C[C@@H]1[C@@H]3C=CC4O)ccc5C(N)=O |c:16|
Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-5,11-13,16,21H,6-8H2,1H3,(H2,19,22)/t11-,12+,13?,16?,18-/m0/s1
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 1.90E+3n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes using radioligand 0.2 nM [3H]Naltrindole

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50101158
PNG
(14-hydroxy-4-methyl-(1S,5R,17R)-12-oxa-4-azapentac...)
Show SMILES CN1CC[C@@]23C4Oc5c2c(C[C@@H]1[C@@H]3C=CC4O)ccc5C(N)=O |c:16|
Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-5,11-13,16,21H,6-8H2,1H3,(H2,19,22)/t11-,12+,13?,16?,18-/m0/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50101159
PNG
(4,10N,10N-trimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-...)
Show SMILES CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:12|
Show InChI InChI=1S/C20H24N2O3/c1-21(2)19(24)12-5-4-11-10-14-13-6-7-15(23)18-20(13,8-9-22(14)3)16(11)17(12)25-18/h4-7,13-15,18,23H,8-10H2,1-3H3/t13-,14+,15?,18?,20-/m0/s1
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 5.80E+3n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50101159
PNG
(4,10N,10N-trimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-...)
Show SMILES CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:12|
Show InChI InChI=1S/C20H24N2O3/c1-21(2)19(24)12-5-4-11-10-14-13-6-7-15(23)18-20(13,8-9-22(14)3)16(11)17(12)25-18/h4-7,13-15,18,23H,8-10H2,1-3H3/t13-,14+,15?,18?,20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50101159
PNG
(4,10N,10N-trimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-...)
Show SMILES CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:12|
Show InChI InChI=1S/C20H24N2O3/c1-21(2)19(24)12-5-4-11-10-14-13-6-7-15(23)18-20(13,8-9-22(14)3)16(11)17(12)25-18/h4-7,13-15,18,23H,8-10H2,1-3H3/t13-,14+,15?,18?,20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes using radioligand 0.2 nM [3H]Naltrindole

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50101162
PNG
(4,10N-dimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-4-aza...)
Show SMILES CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:11|
Show InChI InChI=1S/C19H22N2O3/c1-20-18(23)11-4-3-10-9-13-12-5-6-14(22)17-19(12,7-8-21(13)2)15(10)16(11)24-17/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,20,23)/t12-,13+,14?,17?,19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50101162
PNG
(4,10N-dimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-4-aza...)
Show SMILES CNC(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:11|
Show InChI InChI=1S/C19H22N2O3/c1-20-18(23)11-4-3-10-9-13-12-5-6-14(22)17-19(12,7-8-21(13)2)15(10)16(11)24-17/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,20,23)/t12-,13+,14?,17?,19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes using radioligand 0.2 nM [3H]Naltrindole

Bioorg Med Chem Lett 11: 1717-21 (2001)


BindingDB Entry DOI: 10.7270/Q2TM7BNK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%