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Compile Data Set for Download or QSAR

Found 64 hits from Anaquest Pharmaceuticals   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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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0.400n/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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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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0.860n/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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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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0.880n/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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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
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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Nociceptin/mu 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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228231
PNG
(CHEMBL174828)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCc2cccs2)CC1
Show InChI InChI=1S/C23H30N2O3S/c1-3-22(27)25(20-8-5-4-6-9-20)23(18-28-19(2)26)12-15-24(16-13-23)14-11-21-10-7-17-29-21/h4-10,17H,3,11-16,18H2,1-2H3
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26n/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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228225
PNG
(CHEMBL174758)
Show SMILES CC(C)C(=O)OCC1(CCN(CCc2cccs2)CC1)N(C(=O)C(C)C)c1ccccc1
Show InChI InChI=1S/C26H36N2O3S/c1-20(2)24(29)28(22-9-6-5-7-10-22)26(19-31-25(30)21(3)4)13-16-27(17-14-26)15-12-23-11-8-18-32-23/h5-11,18,20-21H,12-17,19H2,1-4H3
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27n/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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228230
PNG
(CHEMBL174947)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCc2cccs2)CC1
Show InChI InChI=1S/C23H30N2O4S/c1-3-21(26)25(19-8-5-4-6-9-19)23(18-29-22(27)28-2)12-15-24(16-13-23)14-11-20-10-7-17-30-20/h4-10,17H,3,11-16,18H2,1-2H3
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30n/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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228264
PNG
(CHEMBL367661)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C28H38N2O3/c1-5-25(31)30(24-14-10-7-11-15-24)28(22-33-26(32)27(2,3)4)17-20-29(21-18-28)19-16-23-12-8-6-9-13-23/h6-15H,5,16-22H2,1-4H3
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30n/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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Nociceptin/mu 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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32n/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)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228253
PNG
(CHEMBL367968)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CCN(CCc2cccs2)CC1
Show InChI InChI=1S/C26H36N2O3S/c1-5-23(29)28(21-10-7-6-8-11-21)26(20-31-24(30)25(2,3)4)14-17-27(18-15-26)16-13-22-12-9-19-32-22/h6-12,19H,5,13-18,20H2,1-4H3
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41n/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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228256
PNG
(CHEMBL369412)
Show SMILES CCC(=O)OCC1(CCN(CCc2ccccc2)CC1)N(C(C)=O)c1ccccc1
Show InChI InChI=1S/C25H32N2O3/c1-3-24(29)30-20-25(27(21(2)28)23-12-8-5-9-13-23)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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49n/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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228226
PNG
(CHEMBL172032)
Show SMILES CCCC(=O)OCC1(CCN(CCn2ncnn2)CC1)N(C(=O)CCC)c1ccccc1
Show InChI InChI=1S/C23H34N6O3/c1-3-8-21(30)29(20-10-6-5-7-11-20)23(18-32-22(31)9-4-2)12-14-27(15-13-23)16-17-28-25-19-24-26-28/h5-7,10-11,19H,3-4,8-9,12-18H2,1-2H3
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56n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 32: 968-74 (1989)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228262
PNG
(CHEMBL172531)
Show SMILES COC(C)C(=O)OCC1(CCN(CCc2cccs2)CC1)N(C(=O)C(C)OC)c1ccccc1
Show InChI InChI=1S/C26H36N2O5S/c1-20(31-3)24(29)28(22-9-6-5-7-10-22)26(19-33-25(30)21(2)32-4)13-16-27(17-14-26)15-12-23-11-8-18-34-23/h5-11,18,20-21H,12-17,19H2,1-4H3
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>100n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 32: 968-74 (1989)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228263
PNG
(CHEMBL175126)
Show SMILES COC(C)C(=O)OCC1(CCN(CCN2C(=O)c3ccccc3C2=O)CC1)N(C(=O)C(C)OC)c1ccccc1
Show InChI InChI=1S/C30H37N3O7/c1-21(38-3)26(34)33(23-10-6-5-7-11-23)30(20-40-29(37)22(2)39-4)14-16-31(17-15-30)18-19-32-27(35)24-12-8-9-13-25(24)28(32)36/h5-13,21-22H,14-20H2,1-4H3
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>100n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 32: 968-74 (1989)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228257
PNG
(CHEMBL172703)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C22H32N6O5/c1-4-19(29)28(18-9-7-6-8-10-18)22(17-33-21(31)32-3)11-13-25(14-12-22)15-16-27-20(30)26(5-2)23-24-27/h6-10H,4-5,11-17H2,1-3H3
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>100n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 32: 968-74 (1989)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228258
PNG
(CHEMBL172717)
Show SMILES CCOC(=O)OCC1(CCN(CCN2C(=O)c3ccccc3C2=O)CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1S/C28H33N3O6/c1-3-24(32)31(21-10-6-5-7-11-21)28(20-37-27(35)36-4-2)14-16-29(17-15-28)18-19-30-25(33)22-12-8-9-13-23(22)26(30)34/h5-13H,3-4,14-20H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 32: 968-74 (1989)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228223
PNG
(CHEMBL369448)
Show SMILES CCC(=O)OCC1(CCN(CCN2C(=O)c3ccccc3C2=O)CC1)N(C(=O)CC)c1ccccc1
Show InChI InChI=1S/C28H33N3O5/c1-3-24(32)31(21-10-6-5-7-11-21)28(20-36-25(33)4-2)14-16-29(17-15-28)18-19-30-26(34)22-12-8-9-13-23(22)27(30)35/h5-13H,3-4,14-20H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 32: 968-74 (1989)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228222
PNG
(CHEMBL175148)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C22H32N6O4/c1-4-20(30)28(19-9-7-6-8-10-19)22(17-32-18(3)29)11-13-25(14-12-22)15-16-27-21(31)26(5-2)23-24-27/h6-10H,4-5,11-17H2,1-3H3
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>100n/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)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50228250
PNG
(CHEMBL369455)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2ncnn2)CC1
Show InChI InChI=1S/C20H28N6O4/c1-3-18(27)26(17-7-5-4-6-8-17)20(15-30-19(28)29-2)9-11-24(12-10-20)13-14-25-22-16-21-23-25/h4-8,16H,3,9-15H2,1-2H3
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>100n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 32: 968-74 (1989)


Article DOI: 10.1021/jm00125a008
More data for this
Ligand-Target Pair
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