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Compile Data Set for Download or QSAR

Found 3623 hits with Last Name = 'ding' and Initial = 'c'   
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
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50301066
PNG
(CHEMBL571939 | N-(6-(2-(((2S,3S,4R,5R)-3,4-dihydro...)
Show SMILES O[C@@H]1[C@@H](CSCCNC(=O)CCCCCNC(=O)c2cccc(I)c2)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12 |r|
Show InChI InChI=1S/C32H37IN8O7S/c33-22-6-4-5-21(15-22)31(45)35-12-3-1-2-7-25(42)34-13-14-49-17-24-27(43)28(44)32(48-24)40-19-39-26-29(37-18-38-30(26)40)36-16-20-8-10-23(11-9-20)41(46)47/h4-6,8-11,15,18-19,24,27-28,32,43-44H,1-3,7,12-14,16-17H2,(H,34,42)(H,35,45)(H,36,37,38)/t24-,27-,28-,32-/m1/s1
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0.0180n/an/an/an/an/an/an/an/a



Ulm University

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in HL60 cells by flow cytometry


Bioorg Med Chem Lett 19: 5151-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.017
BindingDB Entry DOI: 10.7270/Q2QJ7HCF
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)
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
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50301067
PNG
(CHEMBL569223 | N-(6-(2-(((2S,3S,4R,5R)-3,4-dihydro...)
Show SMILES O[C@@H]1[C@@H](CSCCNC(=O)CCCCCNC(=O)c2ccc(F)cc2)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12 |r|
Show InChI InChI=1S/C32H37FN8O7S/c33-22-9-7-21(8-10-22)31(45)35-13-3-1-2-4-25(42)34-14-15-49-17-24-27(43)28(44)32(48-24)40-19-39-26-29(37-18-38-30(26)40)36-16-20-5-11-23(12-6-20)41(46)47/h5-12,18-19,24,27-28,32,43-44H,1-4,13-17H2,(H,34,42)(H,35,45)(H,36,37,38)/t24-,27-,28-,32-/m1/s1
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0.0640n/an/an/an/an/an/an/an/a



Ulm University

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in HL60 cells by flow cytometry


Bioorg Med Chem Lett 19: 5151-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.017
BindingDB Entry DOI: 10.7270/Q2QJ7HCF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212295
PNG
((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,23+/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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1n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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))
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))
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)
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
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
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)
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
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


(Homo sapiens (Human))
BDBM50212298
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
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