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PubMed code 11052794

Compile data set for download or QSAR
Found 103 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


(Homo sapiens (Human))		BDBM50092704
PNG
(CHEMBL339898 | N,N-Diethyl-4-[piperidin-4-ylidene-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3
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n/an/a 0.630n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092711
PNG
(CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3
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n/an/a 0.740n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092703
PNG
(4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#6](-[#6])=O
Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3
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n/an/a 0.860n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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n/an/a 0.870n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092701
PNG
(CHEMBL278078 | N,N-Diethyl-4-[(2-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1-[#8]-[#6]
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-12-10-18(11-13-20)23(19-14-16-25-17-15-19)21-8-6-7-9-22(21)28-3/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a 0.970n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092712
PNG
(CHEMBL126370 | N,N-Diethyl-4-[(2-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1F
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-11-9-17(10-12-19)22(18-13-15-25-16-14-18)20-7-5-6-8-21(20)24/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092716
PNG
(CHEMBL340131 | N,N-Diethyl-4-[(3-nitro-phenyl)-pip...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#7+](-[#8-])=O
Show InChI InChI=1S/C23H27N3O3/c1-3-25(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-24-15-13-18)20-6-5-7-21(16-20)26(28)29/h5-11,16,24H,3-4,12-15H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092717
PNG
(CHEMBL129034 | N,N-Diethyl-4-(naphthalen-1-yl-pipe...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc2ccccc12
Show InChI InChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092706
PNG
(CHEMBL423694 | N,N-Diethyl-4-[(3-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3/h6-12,17,25H,4-5,13-16H2,1-3H3
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092715
PNG
(CHEMBL339922 | N,N-Diethyl-4-[(4-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6])cc1
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092702
PNG
(CHEMBL129693 | N,N-Diethyl-4-[(4-methylsulfanyl-ph...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#16]-[#6])cc1
Show InChI InChI=1S/C24H30N2OS/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a 2.10n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092714
PNG
(CHEMBL126141 | N,N-Diethyl-4-{[1-(3-methyl-but-2-e...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3
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n/an/a 2.10n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092719
PNG
(4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-3-27(4-2)23(28)18-7-5-16(6-8-18)22(17-11-13-26-14-12-17)19-9-10-20(24)21(25)15-19/h5-10,15,26H,3-4,11-14H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092698
PNG
(4-[(3-Amino-phenyl)-piperidin-4-ylidene-methyl]-N,...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#7])c1
Show InChI InChI=1S/C23H29N3O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15,24H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092720
PNG
(CHEMBL129315 | N,N-Diethyl-4-(piperidin-4-ylidene-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](\c1cccs1)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
Show InChI InChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3
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n/an/a 2.90n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092700
PNG
(4-[(1-Allyl-piperidin-4-ylidene)-phenyl-methyl]-N,...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]=[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C26H32N2O/c1-4-18-27-19-16-23(17-20-27)25(21-10-8-7-9-11-21)22-12-14-24(15-13-22)26(29)28(5-2)6-3/h4,7-15H,1,5-6,16-20H2,2-3H3
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092709
PNG
(4-[(4-Chloro-phenyl)-piperidin-4-ylidene-methyl]-N...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a 4.20n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092718
PNG
(4-[(1-Butyl-piperidin-4-ylidene)-phenyl-methyl]-N,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
Show InChI InChI=1S/C27H36N2O/c1-4-7-19-28-20-17-24(18-21-28)26(22-11-9-8-10-12-22)23-13-15-25(16-14-23)27(30)29(5-2)6-3/h8-16H,4-7,17-21H2,1-3H3
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n/an/a 6.5n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092668
PNG
(CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3
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n/an/a 8.80n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092708
PNG
(4-[(1-Cyclopropylmethyl-piperidin-4-ylidene)-pheny...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C27H34N2O/c1-3-29(4-2)27(30)25-14-12-23(13-15-25)26(22-8-6-5-7-9-22)24-16-18-28(19-17-24)20-21-10-11-21/h5-9,12-15,21H,3-4,10-11,16-20H2,1-2H3
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n/an/a 9.40n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50084251
PNG
(CHEMBL338980 | N,N-Diethyl-4-(phenyl-piperazin-1-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h5-13,21,23H,3-4,14-17H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092707
PNG
(CHEMBL126946 | N,N-Diethyl-4-[(4-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092699
PNG
(CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092721
PNG
(4-[(1-Cyclohexyl-piperidin-4-ylidene)-phenyl-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C29H38N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5,7-8,11-12,15-18,27H,3-4,6,9-10,13-14,19-22H2,1-2H3
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092705
PNG
(4-[(2,6-Dimethyl-phenyl)-piperidin-4-ylidene-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3
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n/an/a 187n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092721
PNG
(4-[(1-Cyclohexyl-piperidin-4-ylidene)-phenyl-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C29H38N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5,7-8,11-12,15-18,27H,3-4,6,9-10,13-14,19-22H2,1-2H3
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n/an/a 597n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092713
PNG
(CHEMBL338089 | N,N-Diethyl-4-[phenyl-(1-phenyl-pip...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C29H32N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5-18H,3-4,19-22H2,1-2H3
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n/an/a 736n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092717
PNG
(CHEMBL129034 | N,N-Diethyl-4-(naphthalen-1-yl-pipe...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc2ccccc12
Show InChI InChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3
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n/an/a 817n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092714
PNG
(CHEMBL126141 | N,N-Diethyl-4-{[1-(3-methyl-but-2-e...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3
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n/an/a 980n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092705
PNG
(4-[(2,6-Dimethyl-phenyl)-piperidin-4-ylidene-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092714
PNG
(CHEMBL126141 | N,N-Diethyl-4-{[1-(3-methyl-but-2-e...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092721
PNG
(4-[(1-Cyclohexyl-piperidin-4-ylidene)-phenyl-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C29H38N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5,7-8,11-12,15-18,27H,3-4,6,9-10,13-14,19-22H2,1-2H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092704
PNG
(CHEMBL339898 | N,N-Diethyl-4-[piperidin-4-ylidene-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3
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n/an/a 1.51E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092717
PNG
(CHEMBL129034 | N,N-Diethyl-4-(naphthalen-1-yl-pipe...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc2ccccc12
Show InChI InChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092700
PNG
(4-[(1-Allyl-piperidin-4-ylidene)-phenyl-methyl]-N,...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]=[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C26H32N2O/c1-4-18-27-19-16-23(17-20-27)25(21-10-8-7-9-11-21)22-12-14-24(15-13-22)26(29)28(5-2)6-3/h4,7-15H,1,5-6,16-20H2,2-3H3
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n/an/a 2.29E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 2.48E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092719
PNG
(4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-3-27(4-2)23(28)18-7-5-16(6-8-18)22(17-11-13-26-14-12-17)19-9-10-20(24)21(25)15-19/h5-10,15,26H,3-4,11-14H2,1-2H3
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n/an/a 2.59E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092705
PNG
(4-[(2,6-Dimethyl-phenyl)-piperidin-4-ylidene-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3
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n/an/a 2.61E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092716
PNG
(CHEMBL340131 | N,N-Diethyl-4-[(3-nitro-phenyl)-pip...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#7+](-[#8-])=O
Show InChI InChI=1S/C23H27N3O3/c1-3-25(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-24-15-13-18)20-6-5-7-21(16-20)26(28)29/h5-11,16,24H,3-4,12-15H2,1-2H3
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n/an/a 2.74E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092712
PNG
(CHEMBL126370 | N,N-Diethyl-4-[(2-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1F
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-11-9-17(10-12-19)22(18-13-15-25-16-14-18)20-7-5-6-8-21(20)24/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a 2.98E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092713
PNG
(CHEMBL338089 | N,N-Diethyl-4-[phenyl-(1-phenyl-pip...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C29H32N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5-18H,3-4,19-22H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092703
PNG
(4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#6](-[#6])=O
Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3
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n/an/a 3.29E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092700
PNG
(4-[(1-Allyl-piperidin-4-ylidene)-phenyl-methyl]-N,...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]=[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C26H32N2O/c1-4-18-27-19-16-23(17-20-27)25(21-10-8-7-9-11-21)22-12-14-24(15-13-22)26(29)28(5-2)6-3/h4,7-15H,1,5-6,16-20H2,2-3H3
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n/an/a 3.33E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092708
PNG
(4-[(1-Cyclopropylmethyl-piperidin-4-ylidene)-pheny...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C27H34N2O/c1-3-29(4-2)27(30)25-14-12-23(13-15-25)26(22-8-6-5-7-9-22)24-16-18-28(19-17-24)20-21-10-11-21/h5-9,12-15,21H,3-4,10-11,16-20H2,1-2H3
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n/an/a 3.39E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092701
PNG
(CHEMBL278078 | N,N-Diethyl-4-[(2-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1-[#8]-[#6]
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-12-10-18(11-13-20)23(19-14-16-25-17-15-19)21-8-6-7-9-22(21)28-3/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a 3.48E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092711
PNG
(CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3
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n/an/a 3.57E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092719
PNG
(4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-3-27(4-2)23(28)18-7-5-16(6-8-18)22(17-11-13-26-14-12-17)19-9-10-20(24)21(25)15-19/h5-10,15,26H,3-4,11-14H2,1-2H3
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n/an/a 3.87E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092718
PNG
(4-[(1-Butyl-piperidin-4-ylidene)-phenyl-methyl]-N,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
Show InChI InChI=1S/C27H36N2O/c1-4-7-19-28-20-17-24(18-21-28)26(22-11-9-8-10-12-22)23-13-15-25(16-14-23)27(30)29(5-2)6-3/h8-16H,4-7,17-21H2,1-3H3
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n/an/a 4.13E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092718
PNG
(4-[(1-Butyl-piperidin-4-ylidene)-phenyl-methyl]-N,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
Show InChI InChI=1S/C27H36N2O/c1-4-7-19-28-20-17-24(18-21-28)26(22-11-9-8-10-12-22)23-13-15-25(16-14-23)27(30)29(5-2)6-3/h8-16H,4-7,17-21H2,1-3H3
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n/an/a 4.27E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092709
PNG
(4-[(4-Chloro-phenyl)-piperidin-4-ylidene-methyl]-N...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a 5.05E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092706
PNG
(CHEMBL423694 | N,N-Diethyl-4-[(3-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3/h6-12,17,25H,4-5,13-16H2,1-3H3
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n/an/a 5.25E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092704
PNG
(CHEMBL339898 | N,N-Diethyl-4-[piperidin-4-ylidene-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3
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n/an/a 5.35E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092720
PNG
(CHEMBL129315 | N,N-Diethyl-4-(piperidin-4-ylidene-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](\c1cccs1)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
Show InChI InChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3
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n/an/a 5.44E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092715
PNG
(CHEMBL339922 | N,N-Diethyl-4-[(4-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6])cc1
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a 5.44E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092698
PNG
(4-[(3-Amino-phenyl)-piperidin-4-ylidene-methyl]-N,...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#7])c1
Show InChI InChI=1S/C23H29N3O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15,24H2,1-2H3
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n/an/a 5.98E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092708
PNG
(4-[(1-Cyclopropylmethyl-piperidin-4-ylidene)-pheny...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C27H34N2O/c1-3-29(4-2)27(30)25-14-12-23(13-15-25)26(22-8-6-5-7-9-22)24-16-18-28(19-17-24)20-21-10-11-21/h5-9,12-15,21H,3-4,10-11,16-20H2,1-2H3
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n/an/a 6.14E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092702
PNG
(CHEMBL129693 | N,N-Diethyl-4-[(4-methylsulfanyl-ph...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#16]-[#6])cc1
Show InChI InChI=1S/C24H30N2OS/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a 6.76E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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n/an/a 7.47E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50084251
PNG
(CHEMBL338980 | N,N-Diethyl-4-(phenyl-piperazin-1-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h5-13,21,23H,3-4,14-17H2,1-2H3
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n/an/a 8.15E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092709
PNG
(4-[(4-Chloro-phenyl)-piperidin-4-ylidene-methyl]-N...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a 8.34E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092699
PNG
(CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3
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n/an/a>8.90E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092707
PNG
(CHEMBL126946 | N,N-Diethyl-4-[(4-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092699
PNG
(CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092703
PNG
(4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#6](-[#6])=O
Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092702
PNG
(CHEMBL129693 | N,N-Diethyl-4-[(4-methylsulfanyl-ph...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#16]-[#6])cc1
Show InChI InChI=1S/C24H30N2OS/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50084251
PNG
(CHEMBL338980 | N,N-Diethyl-4-(phenyl-piperazin-1-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h5-13,21,23H,3-4,14-17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092716
PNG
(CHEMBL340131 | N,N-Diethyl-4-[(3-nitro-phenyl)-pip...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#7+](-[#8-])=O
Show InChI InChI=1S/C23H27N3O3/c1-3-25(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-24-15-13-18)20-6-5-7-21(16-20)26(28)29/h5-11,16,24H,3-4,12-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092698
PNG
(4-[(3-Amino-phenyl)-piperidin-4-ylidene-methyl]-N,...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#7])c1
Show InChI InChI=1S/C23H29N3O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15,24H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092712
PNG
(CHEMBL126370 | N,N-Diethyl-4-[(2-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1F
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-11-9-17(10-12-19)22(18-13-15-25-16-14-18)20-7-5-6-8-21(20)24/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092720
PNG
(CHEMBL129315 | N,N-Diethyl-4-(piperidin-4-ylidene-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](\c1cccs1)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
Show InChI InChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092707
PNG
(CHEMBL126946 | N,N-Diethyl-4-[(4-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092701
PNG
(CHEMBL278078 | N,N-Diethyl-4-[(2-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1-[#8]-[#6]
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-12-10-18(11-13-20)23(19-14-16-25-17-15-19)21-8-6-7-9-22(21)28-3/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092715
PNG
(CHEMBL339922 | N,N-Diethyl-4-[(4-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6])cc1
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092706
PNG
(CHEMBL423694 | N,N-Diethyl-4-[(3-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3/h6-12,17,25H,4-5,13-16H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50092711
PNG
(CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50092713
PNG
(CHEMBL338089 | N,N-Diethyl-4-[phenyl-(1-phenyl-pip...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C29H32N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5-18H,3-4,19-22H2,1-2H3
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092717
PNG
(CHEMBL129034 | N,N-Diethyl-4-(naphthalen-1-yl-pipe...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc2ccccc12
Show InChI InChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3
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n/an/an/an/a 0.900n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092704
PNG
(CHEMBL339898 | N,N-Diethyl-4-[piperidin-4-ylidene-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3
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n/an/an/an/a 3.20n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092718
PNG
(4-[(1-Butyl-piperidin-4-ylidene)-phenyl-methyl]-N,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6]
Show InChI InChI=1S/C27H36N2O/c1-4-7-19-28-20-17-24(18-21-28)26(22-11-9-8-10-12-22)23-13-15-25(16-14-23)27(30)29(5-2)6-3/h8-16H,4-7,17-21H2,1-3H3
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n/an/an/an/a 46n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092702
PNG
(CHEMBL129693 | N,N-Diethyl-4-[(4-methylsulfanyl-ph...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#16]-[#6])cc1
Show InChI InChI=1S/C24H30N2OS/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/an/an/a 23n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092668
PNG
(CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3
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n/an/an/an/a 121n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092707
PNG
(CHEMBL126946 | N,N-Diethyl-4-[(4-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/an/an/a 98n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092716
PNG
(CHEMBL340131 | N,N-Diethyl-4-[(3-nitro-phenyl)-pip...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#7+](-[#8-])=O
Show InChI InChI=1S/C23H27N3O3/c1-3-25(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-24-15-13-18)20-6-5-7-21(16-20)26(28)29/h5-11,16,24H,3-4,12-15H2,1-2H3
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n/an/an/an/a 8.60n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092706
PNG
(CHEMBL423694 | N,N-Diethyl-4-[(3-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3/h6-12,17,25H,4-5,13-16H2,1-3H3
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n/an/an/an/a 14n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092709
PNG
(4-[(4-Chloro-phenyl)-piperidin-4-ylidene-methyl]-N...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/an/an/a 26n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092720
PNG
(CHEMBL129315 | N,N-Diethyl-4-(piperidin-4-ylidene-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](\c1cccs1)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
Show InChI InChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3
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n/an/an/an/a 31n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092701
PNG
(CHEMBL278078 | N,N-Diethyl-4-[(2-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1-[#8]-[#6]
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-12-10-18(11-13-20)23(19-14-16-25-17-15-19)21-8-6-7-9-22(21)28-3/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/an/an/a 5.90n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092699
PNG
(CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3
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n/an/an/an/a 161n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092711
PNG
(CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3
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n/an/an/an/a 4.60n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092698
PNG
(4-[(3-Amino-phenyl)-piperidin-4-ylidene-methyl]-N,...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#7])c1
Show InChI InChI=1S/C23H29N3O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15,24H2,1-2H3
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n/an/an/an/a 21n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092708
PNG
(4-[(1-Cyclopropylmethyl-piperidin-4-ylidene)-pheny...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C27H34N2O/c1-3-29(4-2)27(30)25-14-12-23(13-15-25)26(22-8-6-5-7-9-22)24-16-18-28(19-17-24)20-21-10-11-21/h5-9,12-15,21H,3-4,10-11,16-20H2,1-2H3
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n/an/an/an/a 42n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092703
PNG
(4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#6](-[#6])=O
Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3
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n/an/an/an/a 11n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092719
PNG
(4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methy...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-3-27(4-2)23(28)18-7-5-16(6-8-18)22(17-11-13-26-14-12-17)19-9-10-20(24)21(25)15-19/h5-10,15,26H,3-4,11-14H2,1-2H3
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n/an/an/an/a 9n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092714
PNG
(CHEMBL126141 | N,N-Diethyl-4-{[1-(3-methyl-but-2-e...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3
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n/an/an/an/a 14n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092715
PNG
(CHEMBL339922 | N,N-Diethyl-4-[(4-methoxy-phenyl)-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6])cc1
Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
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n/an/an/an/a 12n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092712
PNG
(CHEMBL126370 | N,N-Diethyl-4-[(2-fluoro-phenyl)-pi...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1F
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-11-9-17(10-12-19)22(18-13-15-25-16-14-18)20-7-5-6-8-21(20)24/h5-12,25H,3-4,13-16H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092700
PNG
(4-[(1-Allyl-piperidin-4-ylidene)-phenyl-methyl]-N,...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]=[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C26H32N2O/c1-4-18-27-19-16-23(17-20-27)25(21-10-8-7-9-11-21)22-12-14-24(15-13-22)26(29)28(5-2)6-3/h4,7-15H,1,5-6,16-20H2,2-3H3
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n/an/an/an/a 28n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50084251
PNG
(CHEMBL338980 | N,N-Diethyl-4-(phenyl-piperazin-1-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h5-13,21,23H,3-4,14-17H2,1-2H3
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n/an/an/an/a 37n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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n/an/an/an/a 7.20n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.

J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%