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PubMed code 19595591

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat delta opioid receptor expressed in rat C6 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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2n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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4.5n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50076501
PNG
(19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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22n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296867
PNG
((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....)
Show SMILES CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
Show InChI InChI=1S/C24H26N2O/c1-25-10-9-24-14-22-19(18-5-3-4-6-21(18)26(22)2)13-23(24,15-25)12-16-7-8-17(27)11-20(16)24/h3-8,11,27H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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40n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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75n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296866
PNG
((1S,13R)-22-methyl-10,22-diazahexacyclo[11.7.4.0^{...)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@]2(Cc2ccc(O)cc32)C1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-18(17-4-2-3-5-20(17)24-21)12-22(23,14-25)11-15-6-7-16(26)10-19(15)23/h2-7,10,24,26H,8-9,11-14H2,1H3/t22-,23-/m1/s1
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104n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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151n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296867
PNG
((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....)
Show SMILES CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
Show InChI InChI=1S/C24H26N2O/c1-25-10-9-24-14-22-19(18-5-3-4-6-21(18)26(22)2)13-23(24,15-25)12-16-7-8-17(27)11-20(16)24/h3-8,11,27H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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268n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296869
PNG
((1S,13R)-22-(cyclopropylmethyl)-10-methyl-10,22-di...)
Show SMILES Cn1c2C[C@@]34CCN(CC5CC5)C[C@@]3(Cc3ccc(O)cc43)Cc2c2ccccc12 |r|
Show InChI InChI=1S/C27H30N2O/c1-28-24-5-3-2-4-21(24)22-14-26-13-19-8-9-20(30)12-23(19)27(26,15-25(22)28)10-11-29(17-26)16-18-6-7-18/h2-5,8-9,12,18,30H,6-7,10-11,13-17H2,1H3/t26-,27-/m1/s1
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469n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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474n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296868
PNG
((1S,13R)-22-(cyclopropylmethyl)-10,22-diazahexacyc...)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C26H28N2O/c29-19-8-7-18-12-25-13-21-20-3-1-2-4-23(20)27-24(21)14-26(25,22(18)11-19)9-10-28(16-25)15-17-5-6-17/h1-4,7-8,11,17,27,29H,5-6,9-10,12-16H2/t25-,26-/m1/s1
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523n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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582n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296868
PNG
((1S,13R)-22-(cyclopropylmethyl)-10,22-diazahexacyc...)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C26H28N2O/c29-19-8-7-18-12-25-13-21-20-3-1-2-4-23(20)27-24(21)14-26(25,22(18)11-19)9-10-28(16-25)15-17-5-6-17/h1-4,7-8,11,17,27,29H,5-6,9-10,12-16H2/t25-,26-/m1/s1
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704n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296864
PNG
((1S,13R)-16-methoxy-10,22-dimethyl-10,22-diazahexa...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3c(C4)c4ccccc4n3C)c2c1 |r|
Show InChI InChI=1S/C25H28N2O/c1-26-11-10-25-15-23-20(19-6-4-5-7-22(19)27(23)2)14-24(25,16-26)13-17-8-9-18(28-3)12-21(17)25/h4-9,12H,10-11,13-16H2,1-3H3/t24-,25-/m1/s1
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713n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296863
PNG
((1S,13R)-16-methoxy-22-methyl-10,22-diazahexacyclo...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-19(18-5-3-4-6-21(18)25-22)13-23(24,15-26)12-16-7-8-17(27-2)11-20(16)24/h3-8,11,25H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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765n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296867
PNG
((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....)
Show SMILES CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
Show InChI InChI=1S/C24H26N2O/c1-25-10-9-24-14-22-19(18-5-3-4-6-21(18)26(22)2)13-23(24,15-25)12-16-7-8-17(27)11-20(16)24/h3-8,11,27H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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1.12E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296866
PNG
((1S,13R)-22-methyl-10,22-diazahexacyclo[11.7.4.0^{...)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@]2(Cc2ccc(O)cc32)C1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-18(17-4-2-3-5-20(17)24-21)12-22(23,14-25)11-15-6-7-16(26)10-19(15)23/h2-7,10,24,26H,8-9,11-14H2,1H3/t22-,23-/m1/s1
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1.12E+3n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296866
PNG
((1S,13R)-22-methyl-10,22-diazahexacyclo[11.7.4.0^{...)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@]2(Cc2ccc(O)cc32)C1 |r|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-18(17-4-2-3-5-20(17)24-21)12-22(23,14-25)11-15-6-7-16(26)10-19(15)23/h2-7,10,24,26H,8-9,11-14H2,1H3/t22-,23-/m1/s1
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1.19E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296865
PNG
((1S,13R)-22-(cyclopropylmethyl)-16-methoxy-10,22-d...)
Show SMILES COc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C27H30N2O/c1-30-20-9-8-19-13-26-14-22-21-4-2-3-5-24(21)28-25(22)15-27(26,23(19)12-20)10-11-29(17-26)16-18-6-7-18/h2-5,8-9,12,18,28H,6-7,10-11,13-17H2,1H3/t26-,27-/m1/s1
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1.42E+3n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296869
PNG
((1S,13R)-22-(cyclopropylmethyl)-10-methyl-10,22-di...)
Show SMILES Cn1c2C[C@@]34CCN(CC5CC5)C[C@@]3(Cc3ccc(O)cc43)Cc2c2ccccc12 |r|
Show InChI InChI=1S/C27H30N2O/c1-28-24-5-3-2-4-21(24)22-14-26-13-19-8-9-20(30)12-23(19)27(26,15-25(22)28)10-11-29(17-26)16-18-6-7-18/h2-5,8-9,12,18,30H,6-7,10-11,13-17H2,1H3/t26-,27-/m1/s1
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1.52E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296869
PNG
((1S,13R)-22-(cyclopropylmethyl)-10-methyl-10,22-di...)
Show SMILES Cn1c2C[C@@]34CCN(CC5CC5)C[C@@]3(Cc3ccc(O)cc43)Cc2c2ccccc12 |r|
Show InChI InChI=1S/C27H30N2O/c1-28-24-5-3-2-4-21(24)22-14-26-13-19-8-9-20(30)12-23(19)27(26,15-25(22)28)10-11-29(17-26)16-18-6-7-18/h2-5,8-9,12,18,30H,6-7,10-11,13-17H2,1H3/t26-,27-/m1/s1
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1.79E+3n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296863
PNG
((1S,13R)-16-methoxy-22-methyl-10,22-diazahexacyclo...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-19(18-5-3-4-6-21(18)25-22)13-23(24,15-26)12-16-7-8-17(27-2)11-20(16)24/h3-8,11,25H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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1.82E+3n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50076501
PNG
(19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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1.85E+3n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296865
PNG
((1S,13R)-22-(cyclopropylmethyl)-16-methoxy-10,22-d...)
Show SMILES COc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C27H30N2O/c1-30-20-9-8-19-13-26-14-22-21-4-2-3-5-24(21)28-25(22)15-27(26,23(19)12-20)10-11-29(17-26)16-18-6-7-18/h2-5,8-9,12,18,28H,6-7,10-11,13-17H2,1H3/t26-,27-/m1/s1
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2.55E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296868
PNG
((1S,13R)-22-(cyclopropylmethyl)-10,22-diazahexacyc...)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C26H28N2O/c29-19-8-7-18-12-25-13-21-20-3-1-2-4-23(20)27-24(21)14-26(25,22(18)11-19)9-10-28(16-25)15-17-5-6-17/h1-4,7-8,11,17,27,29H,5-6,9-10,12-16H2/t25-,26-/m1/s1
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2.55E+3n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50076501
PNG
(19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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3.16E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296864
PNG
((1S,13R)-16-methoxy-10,22-dimethyl-10,22-diazahexa...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3c(C4)c4ccccc4n3C)c2c1 |r|
Show InChI InChI=1S/C25H28N2O/c1-26-11-10-25-15-23-20(19-6-4-5-7-22(19)27(23)2)14-24(25,16-26)13-17-8-9-18(28-3)12-21(17)25/h4-9,12H,10-11,13-16H2,1-3H3/t24-,25-/m1/s1
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3.81E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296863
PNG
((1S,13R)-16-methoxy-22-methyl-10,22-diazahexacyclo...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-19(18-5-3-4-6-21(18)25-22)13-23(24,15-26)12-16-7-8-17(27-2)11-20(16)24/h3-8,11,25H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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5.12E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296865
PNG
((1S,13R)-22-(cyclopropylmethyl)-16-methoxy-10,22-d...)
Show SMILES COc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C27H30N2O/c1-30-20-9-8-19-13-26-14-22-21-4-2-3-5-24(21)28-25(22)15-27(26,23(19)12-20)10-11-29(17-26)16-18-6-7-18/h2-5,8-9,12,18,28H,6-7,10-11,13-17H2,1H3/t26-,27-/m1/s1
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6.65E+3n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296864
PNG
((1S,13R)-16-methoxy-10,22-dimethyl-10,22-diazahexa...)
Show SMILES COc1ccc2C[C@@]34CN(C)CC[C@@]3(Cc3c(C4)c4ccccc4n3C)c2c1 |r|
Show InChI InChI=1S/C25H28N2O/c1-26-11-10-25-15-23-20(19-6-4-5-7-22(19)27(23)2)14-24(25,16-26)13-17-8-9-18(28-3)12-21(17)25/h4-9,12H,10-11,13-16H2,1-3H3/t24-,25-/m1/s1
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>1.00E+4n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296867
PNG
((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....)
Show SMILES CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
Show InChI InChI=1S/C24H26N2O/c1-25-10-9-24-14-22-19(18-5-3-4-6-21(18)26(22)2)13-23(24,15-25)12-16-7-8-17(27)11-20(16)24/h3-8,11,27H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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n/an/an/an/a 65n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296867
PNG
((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....)
Show SMILES CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
Show InChI InChI=1S/C24H26N2O/c1-25-10-9-24-14-22-19(18-5-3-4-6-21(18)26(22)2)13-23(24,15-25)12-16-7-8-17(27)11-20(16)24/h3-8,11,27H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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n/an/an/an/a 174n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296867
PNG
((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....)
Show SMILES CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
Show InChI InChI=1S/C24H26N2O/c1-25-10-9-24-14-22-19(18-5-3-4-6-21(18)26(22)2)13-23(24,15-25)12-16-7-8-17(27)11-20(16)24/h3-8,11,27H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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n/an/an/an/a 62n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50296868
PNG
((1S,13R)-22-(cyclopropylmethyl)-10,22-diazahexacyc...)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C26H28N2O/c29-19-8-7-18-12-25-13-21-20-3-1-2-4-23(20)27-24(21)14-26(25,22(18)11-19)9-10-28(16-25)15-17-5-6-17/h1-4,7-8,11,17,27,29H,5-6,9-10,12-16H2/t25-,26-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50296868
PNG
((1S,13R)-22-(cyclopropylmethyl)-10,22-diazahexacyc...)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C26H28N2O/c29-19-8-7-18-12-25-13-21-20-3-1-2-4-23(20)27-24(21)14-26(25,22(18)11-19)9-10-28(16-25)15-17-5-6-17/h1-4,7-8,11,17,27,29H,5-6,9-10,12-16H2/t25-,26-/m1/s1
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n/an/an/an/a 33n/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 cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296868
PNG
((1S,13R)-22-(cyclopropylmethyl)-10,22-diazahexacyc...)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C26H28N2O/c29-19-8-7-18-12-25-13-21-20-3-1-2-4-23(20)27-24(21)14-26(25,22(18)11-19)9-10-28(16-25)15-17-5-6-17/h1-4,7-8,11,17,27,29H,5-6,9-10,12-16H2/t25-,26-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 67n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%