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Compile Data Set for Download or QSAR

Found 1222 hits with Last Name = 'spencer' and Initial = 'k'   
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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM94503
PNG
(2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
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0.0200n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013943
PNG
(CHEMBL327270 | Furan-2-carboxylic acid (2-chloro-p...)
Show SMILES CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1Cl
Show InChI InChI=1S/C25H27ClN2O2/c1-19-18-27(15-13-20-8-3-2-4-9-20)16-14-22(19)28(23-11-6-5-10-21(23)26)25(29)24-12-7-17-30-24/h2-12,17,19,22H,13-16,18H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013945
PNG
(CHEMBL431047 | Furan-2-carboxylic acid [3-methyl-1...)
Show SMILES CC1CN(CCc2cccs2)CCC1N(C(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C23H26N2O2S/c1-18-17-24(13-11-20-9-6-16-28-20)14-12-21(18)25(19-7-3-2-4-8-19)23(26)22-10-5-15-27-22/h2-10,15-16,18,21H,11-14,17H2,1H3
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0.150n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013934
PNG
(CHEMBL319060 | N-(2-Fluoro-phenyl)-2-methoxy-N-(3-...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1F
Show InChI InChI=1S/C23H29FN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013934
PNG
(CHEMBL319060 | N-(2-Fluoro-phenyl)-2-methoxy-N-(3-...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1F
Show InChI InChI=1S/C23H29FN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3
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0.190n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM94503
PNG
(2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(me...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3
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0.220n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013939
PNG
(CHEMBL95247 | Furan-2-carboxylic acid (3-methyl-1-...)
Show SMILES CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C25H28N2O2/c1-20-19-26(16-14-21-9-4-2-5-10-21)17-15-23(20)27(22-11-6-3-7-12-22)25(28)24-13-8-18-29-24/h2-13,18,20,23H,14-17,19H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013939
PNG
(CHEMBL95247 | Furan-2-carboxylic acid (3-methyl-1-...)
Show SMILES CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1
Show InChI InChI=1S/C25H28N2O2/c1-20-19-26(16-14-21-9-4-2-5-10-21)17-15-23(20)27(22-11-6-3-7-12-22)25(28)24-13-8-18-29-24/h2-13,18,20,23H,14-17,19H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013938
PNG
(2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-19-17-24(15-13-20-9-5-3-6-10-20)16-14-22(19)25(23(26)18-27-2)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3
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0.330n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013938
PNG
(2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-19-17-24(15-13-20-9-5-3-6-10-20)16-14-22(19)25(23(26)18-27-2)21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3
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0.330n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013949
PNG
(CHEMBL95248 | Furan-2-carboxylic acid (2-methoxy-p...)
Show SMILES COc1ccccc1N(C1CCN(CCc2ccccc2)CC1C)C(=O)c1ccco1
Show InChI InChI=1S/C26H30N2O3/c1-20-19-27(16-14-21-9-4-3-5-10-21)17-15-22(20)28(26(29)25-13-8-18-31-25)23-11-6-7-12-24(23)30-2/h3-13,18,20,22H,14-17,19H2,1-2H3
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0.780n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013948
PNG
(CHEMBL95909 | N-(2-Chloro-phenyl)-2-methoxy-N-(3-m...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1Cl
Show InChI InChI=1S/C23H29ClN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017412
PNG
(CHEMBL345120 | Furan-2-carboxylic acid (1-phenethy...)
Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1ccccn1)c1ccco1
Show InChI InChI=1S/C23H25N3O2/c27-23(21-9-6-18-28-21)26(22-10-4-5-14-24-22)20-12-16-25(17-13-20)15-11-19-7-2-1-3-8-19/h1-10,14,18,20H,11-13,15-17H2
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1.90n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013947
PNG
(CHEMBL95786 | Furan-2-carboxylic acid (2-methoxy-p...)
Show SMILES COc1ccccc1N(C1CCN(CCc2cccs2)CC1C)C(=O)c1ccco1
Show InChI InChI=1S/C24H28N2O3S/c1-18-17-25(13-11-19-7-6-16-30-19)14-12-20(18)26(24(27)23-10-5-15-29-23)21-8-3-4-9-22(21)28-2/h3-10,15-16,18,20H,11-14,17H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013935
PNG
(CHEMBL95390 | N-(2-Fluoro-phenyl)-2-methoxy-N-[3-m...)
Show SMILES COCC(=O)N(C1CCN(CCn2cnnn2)CC1C)c1ccccc1F
Show InChI InChI=1S/C18H25FN6O2/c1-14-11-23(9-10-24-13-20-21-22-24)8-7-16(14)25(18(26)12-27-2)17-6-4-3-5-15(17)19/h3-6,13-14,16H,7-12H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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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2.10n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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2.20n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013940
PNG
(CHEMBL319343 | N-(2-Fluoro-phenyl)-2-methoxy-N-[3-...)
Show SMILES COC(C)C(=O)N(C1CCN(CCc2cccs2)CC1C)c1ccccc1F
Show InChI InChI=1S/C22H29FN2O2S/c1-16-15-24(12-10-18-7-6-14-28-18)13-11-20(16)25(22(26)17(2)27-3)21-9-5-4-8-19(21)23/h4-9,14,16-17,20H,10-13,15H2,1-3H3
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2.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017406
PNG
(CHEMBL162700 | Furan-3-carboxylic acid benzo[1,2,5...)
Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1cccc2nsnc12)c1ccoc1
Show InChI InChI=1S/C24H24N4O2S/c29-24(19-12-16-30-17-19)28(22-8-4-7-21-23(22)26-31-25-21)20-10-14-27(15-11-20)13-9-18-5-2-1-3-6-18/h1-8,12,16-17,20H,9-11,13-15H2
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2.60n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013942
PNG
(CHEMBL318895 | N-(2-Chloro-phenyl)-2-methoxy-N-(3-...)
Show SMILES COC(C)C(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1Cl
Show InChI InChI=1S/C24H31ClN2O2/c1-18-17-26(15-13-20-9-5-4-6-10-20)16-14-22(18)27(24(28)19(2)29-3)23-12-8-7-11-21(23)25/h4-12,18-19,22H,13-17H2,1-3H3
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2.80n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228269
PNG
(CHEMBL178035)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O3/c1-3-24(29)27(23-12-8-5-9-13-23)25(20-30-21(2)28)15-18-26(19-16-25)17-14-22-10-6-4-7-11-22/h4-13H,3,14-20H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Antimuscarinic activity on the acetylcholine-induced inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 sub...


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017416
PNG
(CHEMBL347188 | Furan-2-carboxylic acid (4-methyl-p...)
Show SMILES Cc1ccnc(c1)N(C1CCN(CCc2ccccc2)CC1)C(=O)c1ccco1
Show InChI InChI=1S/C24H27N3O2/c1-19-9-13-25-23(18-19)27(24(28)22-8-5-17-29-22)21-11-15-26(16-12-21)14-10-20-6-3-2-4-7-20/h2-9,13,17-18,21H,10-12,14-16H2,1H3
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4.10n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013936
PNG
(2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...)
Show SMILES COC(C)C(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1
Show InChI InChI=1S/C24H32N2O2/c1-19-18-25(16-14-21-10-6-4-7-11-21)17-15-23(19)26(24(27)20(2)28-3)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013936
PNG
(2-Methoxy-N-(3-methyl-1-phenethyl-piperidin-4-yl)-...)
Show SMILES COC(C)C(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1
Show InChI InChI=1S/C24H32N2O2/c1-19-18-25(16-14-21-10-6-4-7-11-21)17-15-23(19)26(24(27)20(2)28-3)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017404
PNG
(CHEMBL161084 | Furan-2-carboxylic acid (1-phenethy...)
Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1cnccn1)c1ccco1
Show InChI InChI=1S/C22H24N4O2/c27-22(20-7-4-16-28-20)26(21-17-23-11-12-24-21)19-9-14-25(15-10-19)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,19H,8-10,13-15H2
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7.5n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013944
PNG
(2-Methoxy-N-(2-methoxy-phenyl)-N-(3-methyl-1-phene...)
Show SMILES COC(C)C(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1OC
Show InChI InChI=1S/C25H34N2O3/c1-19-18-26(16-14-21-10-6-5-7-11-21)17-15-22(19)27(25(28)20(2)29-3)23-12-8-9-13-24(23)30-4/h5-13,19-20,22H,14-18H2,1-4H3
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7.60n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017420
PNG
(CHEMBL157922 | Furan-2-carboxylic acid (1-phenethy...)
Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)N1CCCCC1)c1ccco1
Show InChI InChI=1S/C23H31N3O2/c27-23(22-10-7-19-28-22)26(25-14-5-2-6-15-25)21-12-17-24(18-13-21)16-11-20-8-3-1-4-9-20/h1,3-4,7-10,19,21H,2,5-6,11-18H2
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7.70n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228255
PNG
(CHEMBL362439)
Show SMILES CC(C)C(=O)OCC1(CCN(CCc2ccccc2)CC1)N(C(=O)C(C)C)c1ccccc1
Show InChI InChI=1S/C28H38N2O3/c1-22(2)26(31)30(25-13-9-6-10-14-25)28(21-33-27(32)23(3)4)16-19-29(20-17-28)18-15-24-11-7-5-8-12-24/h5-14,22-23H,15-21H2,1-4H3
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7.70n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013941
PNG
(CHEMBL99596 | N-(2-Fluoro-phenyl)-2-methoxy-N-(3-m...)
Show SMILES COC(C)C(=O)N(C1CCN(CCc2ccccc2)CC1C)c1ccccc1F
Show InChI InChI=1S/C24H31FN2O2/c1-18-17-26(15-13-20-9-5-4-6-10-20)16-14-22(18)27(24(28)19(2)29-3)23-12-8-7-11-21(23)25/h4-12,18-19,22H,13-17H2,1-3H3
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8.10n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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8.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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8.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Antimuscarinic activity on the acetylcholine-induced inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 sub...


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228260
PNG
(CHEMBL367286)
Show SMILES CCCC(=O)OCC1(CCN(CCc2cccs2)CC1)N(C(=O)CCC)c1ccccc1
Show InChI InChI=1S/C26H36N2O3S/c1-3-9-24(29)28(22-11-6-5-7-12-22)26(21-31-25(30)10-4-2)15-18-27(19-16-26)17-14-23-13-8-20-32-23/h5-8,11-13,20H,3-4,9-10,14-19,21H2,1-2H3
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8.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017403
PNG
(CHEMBL161442 | Furan-2-carboxylic acid (1-phenethy...)
Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1cccnc1)c1ccco1
Show InChI InChI=1S/C23H25N3O2/c27-23(22-9-5-17-28-22)26(21-8-4-13-24-18-21)20-11-15-25(16-12-20)14-10-19-6-2-1-3-7-19/h1-9,13,17-18,20H,10-12,14-16H2
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8.40n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
The ability of the compound to displace [3H]-naloxone from the opioid receptor mu isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228221
PNG
(CHEMBL366899)
Show SMILES CCOC(=O)OCC1(CCN(CCc2cccs2)CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1S/C24H32N2O4S/c1-3-22(27)26(20-9-6-5-7-10-20)24(19-30-23(28)29-4-2)13-16-25(17-14-24)15-12-21-11-8-18-31-21/h5-11,18H,3-4,12-17,19H2,1-2H3
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9.10n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228217
PNG
(CHEMBL174694)
Show SMILES CCOC(=O)OCC1(CCN(CCc2ccccc2)CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1S/C26H34N2O4/c1-3-24(29)28(23-13-9-6-10-14-23)26(21-32-25(30)31-4-2)16-19-27(20-17-26)18-15-22-11-7-5-8-12-22/h5-14H,3-4,15-21H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228224
PNG
(CHEMBL367667)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O4/c1-3-23(28)27(22-12-8-5-9-13-22)25(20-31-24(29)30-2)15-18-26(19-16-25)17-14-21-10-6-4-7-11-21/h4-13H,3,14-20H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50013937
PNG
(2-Methoxy-N-(2-methoxy-phenyl)-N-[3-methyl-1-(2-th...)
Show SMILES COC(C)C(=O)N(C1CCN(CCc2cccs2)CC1C)c1ccccc1OC
Show InChI InChI=1S/C23H32N2O3S/c1-17-16-24(13-11-19-8-7-15-29-19)14-12-20(17)25(23(26)18(2)27-3)21-9-5-6-10-22(21)28-4/h5-10,15,17-18,20H,11-14,16H2,1-4H3
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11n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228259
PNG
(CHEMBL426034)
Show SMILES CC(=O)OCC1(CCN(CCc2ccccc2)CC1)N(C(C)=O)c1ccccc1
Show InChI InChI=1S/C24H30N2O3/c1-20(27)26(23-11-7-4-8-12-23)24(19-29-21(2)28)14-17-25(18-15-24)16-13-22-9-5-3-6-10-22/h3-12H,13-19H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017405
PNG
(2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyridin...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccn1
Show InChI InChI=1S/C21H27N3O2/c1-26-17-21(25)24(20-9-5-6-13-22-20)19-11-15-23(16-12-19)14-10-18-7-3-2-4-8-18/h2-9,13,19H,10-12,14-17H2,1H3
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13n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
The ability of the compound to displace [3H]-naloxone from the Opioid receptor mu isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017411
PNG
(CHEMBL158857 | Furan-2-carboxylic acid (1-phenethy...)
Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1ncccn1)c1ccco1
Show InChI InChI=1S/C22H24N4O2/c27-21(20-8-4-17-28-20)26(22-23-12-5-13-24-22)19-10-15-25(16-11-19)14-9-18-6-2-1-3-7-18/h1-8,12-13,17,19H,9-11,14-16H2
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14n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228219
PNG
(CHEMBL178847)
Show SMILES CC(=O)OCC1(CCN(CCc2cccs2)CC1)N(C(C)=O)c1ccccc1
Show InChI InChI=1S/C22H28N2O3S/c1-18(25)24(20-7-4-3-5-8-20)22(17-27-19(2)26)11-14-23(15-12-22)13-10-21-9-6-16-28-21/h3-9,16H,10-15,17H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228251
PNG
(CHEMBL176438)
Show SMILES CCC(=O)OCC1(CCN(CCc2cccs2)CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1S/C24H32N2O3S/c1-3-22(27)26(20-9-6-5-7-10-20)24(19-29-23(28)4-2)13-16-25(17-14-24)15-12-21-11-8-18-30-21/h5-11,18H,3-4,12-17,19H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017410
PNG
(2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyrimid...)
Show SMILES COCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ncccn1
Show InChI InChI=1S/C20H26N4O2/c1-26-16-19(25)24(20-21-11-5-12-22-20)18-9-14-23(15-10-18)13-8-17-6-3-2-4-7-17/h2-7,11-12,18H,8-10,13-16H2,1H3
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16n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017409
PNG
(CHEMBL161023 | Furan-2-carboxylic acid (6-chloro-p...)
Show SMILES Clc1cc(ncn1)N(C1CCN(CCc2ccccc2)CC1)C(=O)c1ccco1
Show InChI InChI=1S/C22H23ClN4O2/c23-20-15-21(25-16-24-20)27(22(28)19-7-4-14-29-19)18-9-12-26(13-10-18)11-8-17-5-2-1-3-6-17/h1-7,14-16,18H,8-13H2
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19n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017414
PNG
(CHEMBL161147 | Furan-3-carboxylic acid (2-chloro-p...)
Show SMILES Clc1ncccc1N(C1CCN(CCc2ccccc2)CC1)C(=O)c1ccoc1
Show InChI InChI=1S/C23H24ClN3O2/c24-22-21(7-4-12-25-22)27(23(28)19-11-16-29-17-19)20-9-14-26(15-10-20)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,20H,8-10,13-15H2
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21n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50017413
PNG
(CHEMBL161082 | Furan-2-carboxylic acid (2-chloro-p...)
Show SMILES Clc1nccc(n1)N(C1CCN(CCc2ccccc2)CC1)C(=O)c1ccco1
Show InChI InChI=1S/C22H23ClN4O2/c23-22-24-12-8-20(25-22)27(21(28)19-7-4-16-29-19)18-10-14-26(15-11-18)13-9-17-5-2-1-3-6-17/h1-8,12,16,18H,9-11,13-15H2
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22n/an/an/an/an/an/an/an/a



BOC Technical Center

Curated by ChEMBL


Assay Description
Displacement [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.


J Med Chem 32: 663-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N58KC7
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50228218
PNG
(CHEMBL368487)
Show SMILES CCCC(=O)OCC1(CCN(CCc2ccccc2)CC1)N(C(=O)CCC)c1ccccc1
Show InChI InChI=1S/C28H38N2O3/c1-3-11-26(31)30(25-15-9-6-10-16-25)28(23-33-27(32)12-4-2)18-21-29(22-19-28)20-17-24-13-7-5-8-14-24/h5-10,13-16H,3-4,11-12,17-23H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Antimuscarinic activity on the acetylcholine-induced inhibition of contraction of guinea pig ileum which has M2 muscarinic receptor subtype.


J Med Chem 32: 968-74 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
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