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PubMed code 16777411

Compile data set for download or QSAR
Found 80 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189154
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H33NO7/c1-6-19(27)26(4)17-11-16(22(29)31-5)24(2)9-7-15-23(30)33-18(14-8-10-32-13-14)12-25(15,3)21(24)20(17)28/h8,10,13,15-18,21H,6-7,9,11-12H2,1-5H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189134
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H33NO6/c1-13(2)25-17-10-16(21(27)29-5)23(3)8-6-15-22(28)31-18(14-7-9-30-12-14)11-24(15,4)20(23)19(17)26/h7,9,12-13,15-18,20,25H,6,8,10-11H2,1-5H3/t15-,16-,17+,18-,20-,23-,24-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189162
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](N(C)C(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-13(26)25(4)17-10-16(21(28)30-5)23(2)8-6-15-22(29)32-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)27/h7,9,12,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189138
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Show SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189142
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)N(C)[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H33NO7/c1-6-19(27)26(4)17-11-16(22(29)31-5)24(2)9-7-15-23(30)33-18(14-8-10-32-13-14)12-25(15,3)21(24)20(17)28/h8,10,13,15-18,21H,6-7,9,11-12H2,1-5H3/t15-,16-,17+,18-,21-,24-,25-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170672
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-ethoxy-2-(fu...)
Show SMILES CCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H30O7/c1-5-29-16-10-15(20(25)27-4)22(2)8-6-14-21(26)30-17(13-7-9-28-12-13)11-23(14,3)19(22)18(16)24/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189132
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-13(26)25(4)17-10-16(21(28)30-5)23(2)8-6-15-22(29)32-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)27/h7,9,12,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17+,18-,20-,23-,24-/m0/s1
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17n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189158
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H33NO6/c1-13(2)25-17-10-16(21(27)29-5)23(3)8-6-15-22(28)31-18(14-7-9-30-12-14)11-24(15,4)20(23)19(17)26/h7,9,12-13,15-18,20,25H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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18n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189163
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(N-ethylacet...)
Show SMILES CCN([C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(C)=O
Show InChI InChI=1S/C25H33NO7/c1-6-26(14(2)27)18-11-17(22(29)31-5)24(3)9-7-16-23(30)33-19(15-8-10-32-13-15)12-25(16,4)21(24)20(18)28/h8,10,13,16-19,21H,6-7,9,11-12H2,1-5H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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28n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189159
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(ethylamino)...)
Show SMILES CCN[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-5-24-16-10-15(20(26)28-4)22(2)8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,3)19(22)18(16)25/h7,9,12,14-17,19,24H,5-6,8,10-11H2,1-4H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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29n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189151
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(N-ethylprop...)
Show SMILES CCN([C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC
Show InChI InChI=1S/C26H35NO7/c1-6-20(28)27(7-2)18-12-17(23(30)32-5)25(3)10-8-16-24(31)34-19(15-9-11-33-14-15)13-26(16,4)22(25)21(18)29/h9,11,14,16-19,22H,6-8,10,12-13H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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38n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189150
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(ethylamino)...)
Show SMILES CCN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-5-24-16-10-15(20(26)28-4)22(2)8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,3)19(22)18(16)25/h7,9,12,14-17,19,24H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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65n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189140
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(dimethylami...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-22-8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,2)19(22)18(25)16(24(3)4)10-15(22)20(26)28-5/h7,9,12,14-17,19H,6,8,10-11H2,1-5H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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91n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189133
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)N[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-5-18(26)25-16-10-15(21(28)30-4)23(2)8-6-14-22(29)32-17(13-7-9-31-12-13)11-24(14,3)20(23)19(16)27/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,20-,23-,24-/m0/s1
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117n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159169
PNG
((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15+,16+,17+,19+,22+,23+/m1/s1
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140n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189148
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...)
Show SMILES COC(=O)[C@@H]1C[C@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H29NO7/c1-12(25)24-16-9-15(20(27)29-4)22(2)7-5-14-21(28)31-17(13-6-8-30-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,25)/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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149n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
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155n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189130
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(dimethylami...)
Show SMILES COC(=O)[C@@H]1C[C@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-22-8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,2)19(22)18(25)16(24(3)4)10-15(22)20(26)28-5/h7,9,12,14-17,19H,6,8,10-11H2,1-5H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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168n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189155
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H28O7/c1-21-7-5-13-20(25)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(23)15(26-3)9-14(21)19(24)27-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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220n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189141
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-amino-2-(fur...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H27NO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9,22H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
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223n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189152
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylacet...)
Show SMILES CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(C)=O
Show InChI InChI=1S/C25H33NO7/c1-6-26(14(2)27)18-11-17(22(29)31-5)24(3)9-7-16-23(30)33-19(15-8-10-32-13-15)12-25(16,4)21(24)20(18)28/h8,10,13,16-19,21H,6-7,9,11-12H2,1-5H3/t16-,17-,18+,19-,21-,24-,25-/m0/s1
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240n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189144
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H29NO6/c1-21-7-5-13-20(26)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(24)15(23-3)9-14(21)19(25)27-4/h6,8,11,13-16,18,23H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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328n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189139
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-acetamido-2-...)
Show SMILES COC(=O)[C@@H]1C[C@@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H29NO7/c1-12(25)24-16-9-15(20(27)29-4)22(2)7-5-14-21(28)31-17(13-6-8-30-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,25)/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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332n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189129
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)N[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-5-18(26)25-16-10-15(21(28)30-4)23(2)8-6-14-22(29)32-17(13-7-9-31-12-13)11-24(14,3)20(23)19(16)27/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3,(H,25,26)/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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374n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189137
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylprop...)
Show SMILES CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC
Show InChI InChI=1S/C26H35NO7/c1-6-20(28)27(7-2)18-12-17(23(30)32-5)25(3)10-8-16-24(31)34-19(15-9-11-33-14-15)13-26(16,4)22(25)21(18)29/h9,11,14,16-19,22H,6-8,10,12-13H2,1-5H3/t16-,17-,18+,19-,22-,25-,26-/m0/s1
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376n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189145
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-9-(Acetyloxy)-2-(3-fu...)
Show SMILES COC(=O)[C@@H]1C[C@@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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424n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189157
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)O[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16+,17-,20-,23-,24-/m0/s1
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641n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189149
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(butyryloxy)...)
Show SMILES CCCC(=O)O[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15-,16-,17+,18-,21-,24-,25-/m0/s1
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665n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189174
PNG
((2S,4aS,6aS,7R,9S,10aS)-2-(furan-3-yl)-7-(methoxym...)
Show SMILES COC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@@H](CC21C)c1ccoc1
Show InChI InChI=1S/C23H30O7/c1-13(24)30-18-7-15(11-27-4)22(2)8-17(25)16-12-29-19(14-5-6-28-10-14)9-23(16,3)21(22)20(18)26/h5-6,10,15-16,18-19,21H,7-9,11-12H2,1-4H3/t15-,16-,18-,19-,21-,22-,23?/m0/s1
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769n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189146
PNG
((2S,4aR,6aS,7R,9S,10aS)-2-(furan-3-yl)-7-(hydroxym...)
Show SMILES CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC(=O)[C@H]3CO[C@@H](CC3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H28O7/c1-12(24)29-17-6-14(9-23)21(2)7-16(25)15-11-28-18(13-4-5-27-10-13)8-22(15,3)20(21)19(17)26/h4-5,10,14-15,17-18,20,23H,6-9,11H2,1-3H3/t14-,15+,17-,18-,20-,21-,22?/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189160
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b...)
Show SMILES CNC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H29NO7/c1-12(25)30-16-9-15(20(27)24-4)22(2)7-5-14-21(28)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,27)/t14-,15+,16+,17+,19+,22+,23+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189131
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b...)
Show SMILES CNC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H29NO7/c1-12(25)30-16-9-15(20(27)24-4)22(2)7-5-14-21(28)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,27)/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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1.39E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189147
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-7-(dimethylcarbamoyl)...)
Show SMILES CN(C)C(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-13(26)31-17-10-16(21(28)25(4)5)23(2)8-6-15-22(29)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)27/h7,9,12,15-18,20H,6,8,10-11H2,1-5H3/t15-,16+,17+,18+,20+,23+,24+/m1/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189143
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-7-(ethylcarbamoyl)-2-...)
Show SMILES CCNC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-5-25-21(28)16-10-17(31-13(2)26)19(27)20-23(16,3)8-6-15-22(29)32-18(11-24(15,20)4)14-7-9-30-12-14/h7,9,12,15-18,20H,5-6,8,10-11H2,1-4H3,(H,25,28)/t15-,16+,17+,18+,20+,23+,24+/m1/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189172
PNG
((2S,4aS,6aS,7R,9S,10aS)-7-((dimethylamino)methyl)-...)
Show SMILES CN(C)C[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@@H](CC21C)c1ccoc1
Show InChI InChI=1S/C24H33NO6/c1-14(26)31-19-8-16(11-25(4)5)23(2)9-18(27)17-13-30-20(15-6-7-29-12-15)10-24(17,3)22(23)21(19)28/h6-7,12,16-17,19-20,22H,8-11,13H2,1-5H3/t16-,17-,19-,20-,22-,23-,24?/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189170
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-ethoxy-2-(fu...)
Show SMILES CCO[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H30O7/c1-5-29-16-10-15(20(25)27-4)22(2)8-6-14-21(26)30-17(13-7-9-28-12-13)11-23(14,3)19(22)18(16)24/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189171
PNG
((2S,4aS,6aS,7R,9S,10aS)-2-(furan-3-yl)-7-(hydroxym...)
Show SMILES CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC(=O)[C@@H]3CO[C@@H](CC3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H28O7/c1-12(24)29-17-6-14(9-23)21(2)7-16(25)15-11-28-18(13-4-5-27-10-13)8-22(15,3)20(21)19(17)26/h4-5,10,14-15,17-18,20,23H,6-9,11H2,1-3H3/t14-,15-,17-,18-,20-,21-,22?/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189168
PNG
((2S,4aS,6aS,7R,9S,10aS)-2-(furan-3-yl)-6a,10b-dime...)
Show SMILES CNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@@H](CC21C)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-13(25)30-18-7-15(10-24-4)22(2)8-17(26)16-12-29-19(14-5-6-28-11-14)9-23(16,3)21(22)20(18)27/h5-6,11,15-16,18-19,21,24H,7-10,12H2,1-4H3/t15-,16-,18-,19-,21-,22-,23?/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189161
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-7-(dimethylcarbamoyl)...)
Show SMILES CN(C)C(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-13(26)31-17-10-16(21(28)25(4)5)23(2)8-6-15-22(29)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)27/h7,9,12,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189135
PNG
((2S,4aR,6aS,7R,9S,10aS)-7-((ethylamino)methyl)-2-(...)
Show SMILES CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@@H](CC21C)c1ccoc1
Show InChI InChI=1S/C24H33NO6/c1-5-25-11-16-8-19(31-14(2)26)21(28)22-23(16,3)9-18(27)17-13-30-20(10-24(17,22)4)15-6-7-29-12-15/h6-7,12,16-17,19-20,22,25H,5,8-11,13H2,1-4H3/t16-,17+,19-,20-,22-,23-,24?/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189167
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CN[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H29NO6/c1-21-7-5-13-20(26)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(24)15(23-3)9-14(21)19(25)27-4/h6,8,11,13-16,18,23H,5,7,9-10H2,1-4H3/t13-,14-,15+,16-,18-,21-,22-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189169
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-7-(ethylcarbamoyl)-2-...)
Show SMILES CCNC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-5-25-21(28)16-10-17(31-13(2)26)19(27)20-23(16,3)8-6-15-22(29)32-18(11-24(15,20)4)14-7-9-30-12-14/h7,9,12,15-18,20H,5-6,8,10-11H2,1-4H3,(H,25,28)/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189153
PNG
((2S,4aS,6aS,7R,9S,10aS)-7-((ethylamino)methyl)-2-(...)
Show SMILES CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@@H](CC21C)c1ccoc1
Show InChI InChI=1S/C24H33NO6/c1-5-25-11-16-8-19(31-14(2)26)21(28)22-23(16,3)9-18(27)17-13-30-20(10-24(17,22)4)15-6-7-29-12-15/h6-7,12,16-17,19-20,22,25H,5,8-11,13H2,1-4H3/t16-,17-,19-,20-,22-,23-,24?/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189166
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189156
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CO[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H28O7/c1-21-7-5-13-20(25)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(23)15(26-3)9-14(21)19(24)27-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15+,16-,18-,21-,22-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189173
PNG
((2S,4aR,6aS,7R,9S,10aS)-2-(furan-3-yl)-6a,10b-dime...)
Show SMILES CNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@@H](CC21C)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-13(25)30-18-7-15(10-24-4)22(2)8-17(26)16-12-29-19(14-5-6-28-11-14)9-23(16,3)21(22)20(18)27/h5-6,11,15-16,18-19,21,24H,7-10,12H2,1-4H3/t15-,16+,18-,19-,21-,22-,23?/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189164
PNG
((2S,4aR,6aS,7R,9S,10aS)-7-((dimethylamino)methyl)-...)
Show SMILES CN(C)C[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@@H](CC21C)c1ccoc1
Show InChI InChI=1S/C24H33NO6/c1-14(26)31-19-8-16(11-25(4)5)23(2)9-18(27)17-13-30-20(15-6-7-29-12-15)10-24(17,3)22(23)21(19)28/h6-7,12,16-17,19-20,22H,8-11,13H2,1-5H3/t16-,17+,19-,20-,22-,23-,24?/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189129
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)N[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-5-18(26)25-16-10-15(21(28)30-4)23(2)8-6-14-22(29)32-17(13-7-9-31-12-13)11-24(14,3)20(23)19(16)27/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3,(H,25,26)/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189152
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylacet...)
Show SMILES CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(C)=O
Show InChI InChI=1S/C25H33NO7/c1-6-26(14(2)27)18-11-17(22(29)31-5)24(3)9-7-16-23(30)33-19(15-8-10-32-13-15)12-25(16,4)21(24)20(18)28/h8,10,13,16-19,21H,6-7,9,11-12H2,1-5H3/t16-,17-,18+,19-,21-,24-,25-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189142
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)N(C)[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H33NO7/c1-6-19(27)26(4)17-11-16(22(29)31-5)24(2)9-7-15-23(30)33-18(14-8-10-32-13-14)12-25(15,3)21(24)20(17)28/h8,10,13,15-18,21H,6-7,9,11-12H2,1-5H3/t15-,16-,17+,18-,21-,24-,25-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189141
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-amino-2-(fur...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H27NO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9,22H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
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n/an/an/an/a 1.37E+3n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189155
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H28O7/c1-21-7-5-13-20(25)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(23)15(26-3)9-14(21)19(24)27-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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n/an/an/an/a 389n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189132
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-13(26)25(4)17-10-16(21(28)30-5)23(2)8-6-15-22(29)32-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)27/h7,9,12,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17+,18-,20-,23-,24-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-ethoxy-2-(fu...)
Show SMILES CCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H30O7/c1-5-29-16-10-15(20(25)27-4)22(2)8-6-14-21(26)30-17(13-7-9-28-12-13)11-23(14,3)19(22)18(16)24/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189150
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(ethylamino)...)
Show SMILES CCN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-5-24-16-10-15(20(26)28-4)22(2)8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,3)19(22)18(16)25/h7,9,12,14-17,19,24H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189134
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H33NO6/c1-13(2)25-17-10-16(21(27)29-5)23(3)8-6-15-22(28)31-18(14-7-9-30-12-14)11-24(15,4)20(23)19(17)26/h7,9,12-13,15-18,20,25H,6,8,10-11H2,1-5H3/t15-,16-,17+,18-,20-,23-,24-/m0/s1
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n/an/an/an/a 7.20n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189137
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylprop...)
Show SMILES CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC
Show InChI InChI=1S/C26H35NO7/c1-6-20(28)27(7-2)18-12-17(23(30)32-5)25(3)10-8-16-24(31)34-19(15-9-11-33-14-15)13-26(16,4)22(25)21(18)29/h9,11,14,16-19,22H,6-8,10,12-13H2,1-5H3/t16-,17-,18+,19-,22-,25-,26-/m0/s1
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n/an/an/an/a 857n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189158
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H33NO6/c1-13(2)25-17-10-16(21(27)29-5)23(3)8-6-15-22(28)31-18(14-7-9-30-12-14)11-24(15,4)20(23)19(17)26/h7,9,12-13,15-18,20,25H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50170672
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159169
PNG
((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15+,16+,17+,19+,22+,23+/m1/s1
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n/an/an/an/a 531n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189139
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-acetamido-2-...)
Show SMILES COC(=O)[C@@H]1C[C@@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H29NO7/c1-12(25)24-16-9-15(20(27)29-4)22(2)7-5-14-21(28)31-17(13-6-8-30-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,25)/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 339n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189148
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...)
Show SMILES COC(=O)[C@@H]1C[C@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H29NO7/c1-12(25)24-16-9-15(20(27)29-4)22(2)7-5-14-21(28)31-17(13-6-8-30-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,25)/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 188n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189145
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-9-(Acetyloxy)-2-(3-fu...)
Show SMILES COC(=O)[C@@H]1C[C@@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 306n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189138
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Show SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1
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n/an/an/an/a 9.90n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189162
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES COC(=O)[C@@H]1C[C@H](N(C)C(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-13(26)25(4)17-10-16(21(28)30-5)23(2)8-6-15-22(29)32-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)27/h7,9,12,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189144
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H29NO6/c1-21-7-5-13-20(26)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(24)15(23-3)9-14(21)19(25)27-4/h6,8,11,13-16,18,23H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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n/an/an/an/a 825n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189136
PNG
(CHEMBL424698 | Salvinorin B)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
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n/an/an/an/a 371n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189140
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(dimethylami...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-22-8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,2)19(22)18(25)16(24(3)4)10-15(22)20(26)28-5/h7,9,12,14-17,19H,6,8,10-11H2,1-5H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 343n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189151
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(N-ethylprop...)
Show SMILES CCN([C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC
Show InChI InChI=1S/C26H35NO7/c1-6-20(28)27(7-2)18-12-17(23(30)32-5)25(3)10-8-16-24(31)34-19(15-9-11-33-14-15)13-26(16,4)22(25)21(18)29/h9,11,14,16-19,22H,6-8,10,12-13H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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n/an/an/an/a 37n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189154
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H33NO7/c1-6-19(27)26(4)17-11-16(22(29)31-5)24(2)9-7-15-23(30)33-18(14-8-10-32-13-14)12-25(15,3)21(24)20(17)28/h8,10,13,15-18,21H,6-7,9,11-12H2,1-5H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1
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n/an/an/an/a 0.75n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189159
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(ethylamino)...)
Show SMILES CCN[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-5-24-16-10-15(20(26)28-4)22(2)8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,3)19(22)18(16)25/h7,9,12,14-17,19,24H,5-6,8,10-11H2,1-4H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 69n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189130
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(dimethylami...)
Show SMILES COC(=O)[C@@H]1C[C@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H31NO6/c1-22-8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,2)19(22)18(25)16(24(3)4)10-15(22)20(26)28-5/h7,9,12,14-17,19H,6,8,10-11H2,1-5H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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n/an/an/an/a 240n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189163
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(N-ethylacet...)
Show SMILES CCN([C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(C)=O
Show InChI InChI=1S/C25H33NO7/c1-6-26(14(2)27)18-11-17(22(29)31-5)24(3)9-7-16-23(30)33-19(15-8-10-32-13-15)12-25(16,4)21(24)20(18)28/h8,10,13,16-19,21H,6-7,9,11-12H2,1-5H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189133
PNG
((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CCC(=O)N[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H31NO7/c1-5-18(26)25-16-10-15(21(28)30-4)23(2)8-6-14-22(29)32-17(13-7-9-31-12-13)11-24(14,3)20(23)19(16)27/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,20-,23-,24-/m0/s1
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n/an/an/an/a 718n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%