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100 similar compounds to monomer 50265533

Compile data set for download or QSAR
Wt: 454.5
BDBM82553
Wt: 467.4
BDBM82554
Wt: 374.4
BDBM86442
Wt: 464.5
BDBM86443
Wt: 388.4
BDBM86444
Wt: 388.4
BDBM86445
Wt: 464.5
BDBM86447
Wt: 374.4
BDBM86448
Wt: 490.5
BDBM86923
Wt: 490.5
BDBM86924
Wt: 506.5
BDBM86926
Wt: 474.5
BDBM86928
Wt: 476.5
BDBM86929
Wt: 462.5
BDBM86932
Wt: 460.5
BDBM86935
Displayed 1 to 15 (of 100 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 55 hits for monomerid = 82553,82554,86442,86443,86444,86445,86447,86448,86923,86924,86926,86928,86929,86932,86935   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86932
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H30N2O5/c30-18-3-1-2-17(12-18)25(32)28-19-8-9-27(33)21-13-16-6-7-20(31)23-22(16)26(27,24(19)34-23)10-11-29(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,30-31,33H,4-5,8-11,13-14H2,(H,28,32)
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0.0600n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82554
PNG
(Beta C N A | CAS_115070 | NSC_115070)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)N(CCCl)CCCl
Show InChI InChI=1S/C24H32Cl2N2O3/c25-8-11-27(12-9-26)17-5-6-24(30)19-13-16-3-4-18(29)21-20(16)23(24,22(17)31-21)7-10-28(19)14-15-1-2-15/h3-4,15,17,19,22,29-30H,1-2,5-14H2
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0.0800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86928
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C29H34N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,21,23,27,32,34H,6-8,11-17H2,(H,30,33)
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0.0900n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86929
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H32N2O5/c1-34-19-4-2-3-18(13-19)26(32)29-20-9-10-28(33)22-14-17-7-8-21(31)24-23(17)27(28,25(20)35-24)11-12-30(22)15-16-5-6-16/h2-4,7-8,13,16,20,22,25,31,33H,5-6,9-12,14-15H2,1H3,(H,29,32)
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0.120n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86928
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C29H34N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,21,23,27,32,34H,6-8,11-17H2,(H,30,33)
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0.120n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86932
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H30N2O5/c30-18-3-1-2-17(12-18)25(32)28-19-8-9-27(33)21-13-16-6-7-20(31)23-22(16)26(27,24(19)34-23)10-11-29(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,30-31,33H,4-5,8-11,13-14H2,(H,28,32)
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0.130n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86923
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6OC2C3(CCN4CC2CC2)c56)c1
Show InChI InChI=1S/C29H34N2O5/c1-35-20-4-2-3-18(13-20)14-24(33)30-21-9-10-29(34)23-15-19-7-8-22(32)26-25(19)28(29,27(21)36-26)11-12-31(23)16-17-5-6-17/h2-4,7-8,13,17,21,23,27,32,34H,5-6,9-12,14-16H2,1H3,(H,30,33)
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0.130n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86929
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H32N2O5/c1-34-19-4-2-3-18(13-19)26(32)29-20-9-10-28(33)22-14-17-7-8-21(31)24-23(17)27(28,25(20)35-24)11-12-30(22)15-16-5-6-16/h2-4,7-8,13,16,20,22,25,31,33H,5-6,9-12,14-15H2,1H3,(H,29,32)
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0.160n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86935
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C28H32N2O4/c31-21-9-8-19-15-22-28(33)11-10-20(29-23(32)14-17-4-2-1-3-5-17)26-27(28,24(19)25(21)34-26)12-13-30(22)16-18-6-7-18/h1-5,8-9,18,20,22,26,31,33H,6-7,10-16H2,(H,29,32)
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0.160n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86926
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)
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0.190n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82553
PNG
(BETA-FUNALTREXAMINE | CAS_72786-10-8 | b-FNA-HCl)
Show SMILES COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86929
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H32N2O5/c1-34-19-4-2-3-18(13-19)26(32)29-20-9-10-28(33)22-14-17-7-8-21(31)24-23(17)27(28,25(20)35-24)11-12-30(22)15-16-5-6-16/h2-4,7-8,13,16,20,22,25,31,33H,5-6,9-12,14-15H2,1H3,(H,29,32)
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0.240n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86926
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)
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0.260n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86926
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)
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0.290n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82553
PNG
(BETA-FUNALTREXAMINE | CAS_72786-10-8 | b-FNA-HCl)
Show SMILES COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82553
PNG
(BETA-FUNALTREXAMINE | CAS_72786-10-8 | b-FNA-HCl)
Show SMILES COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
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0.330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM82553
PNG
(BETA-FUNALTREXAMINE | CAS_72786-10-8 | b-FNA-HCl)
Show SMILES COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86935
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C28H32N2O4/c31-21-9-8-19-15-22-28(33)11-10-20(29-23(32)14-17-4-2-1-3-5-17)26-27(28,24(19)25(21)34-26)12-13-30(22)16-18-6-7-18/h1-5,8-9,18,20,22,26,31,33H,6-7,10-16H2,(H,29,32)
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0.430n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86923
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6OC2C3(CCN4CC2CC2)c56)c1
Show InChI InChI=1S/C29H34N2O5/c1-35-20-4-2-3-18(13-20)14-24(33)30-21-9-10-29(34)23-15-19-7-8-22(32)26-25(19)28(29,27(21)36-26)11-12-31(23)16-17-5-6-17/h2-4,7-8,13,17,21,23,27,32,34H,5-6,9-12,14-16H2,1H3,(H,30,33)
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0.450n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86929
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H32N2O5/c1-34-19-4-2-3-18(13-19)26(32)29-20-9-10-28(33)22-14-17-7-8-21(31)24-23(17)27(28,25(20)35-24)11-12-30(22)15-16-5-6-16/h2-4,7-8,13,16,20,22,25,31,33H,5-6,9-12,14-15H2,1H3,(H,29,32)
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0.720n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86444
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13+,15?,18+,20+,21?/m1/s1
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0.770n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86442
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1
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0.830n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86448
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1
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0.890n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82554
PNG
(Beta C N A | CAS_115070 | NSC_115070)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)N(CCCl)CCCl
Show InChI InChI=1S/C24H32Cl2N2O3/c25-8-11-27(12-9-26)17-5-6-24(30)19-13-16-3-4-18(29)21-20(16)23(24,22(17)31-21)7-10-28(19)14-15-1-2-15/h3-4,15,17,19,22,29-30H,1-2,5-14H2
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0.900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM82553
PNG
(BETA-FUNALTREXAMINE | CAS_72786-10-8 | b-FNA-HCl)
Show SMILES COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86447
PNG
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)
Show SMILES COC12CC[C@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19+,21?,24-,26-,27?/m0/s1
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0.950n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86443
PNG
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)
Show SMILES COC12CC[C@@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19-,21?,24+,26+,27?/m1/s1
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1.03n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86445
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86926
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)
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2.41n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86443
PNG
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)
Show SMILES COC12CC[C@@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19-,21?,24+,26+,27?/m1/s1
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2.58n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86932
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H30N2O5/c30-18-3-1-2-17(12-18)25(32)28-19-8-9-27(33)21-13-16-6-7-20(31)23-22(16)26(27,24(19)34-23)10-11-29(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,30-31,33H,4-5,8-11,13-14H2,(H,28,32)
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2.73n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82553
PNG
(BETA-FUNALTREXAMINE | CAS_72786-10-8 | b-FNA-HCl)
Show SMILES COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86929
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H32N2O5/c1-34-19-4-2-3-18(13-19)26(32)29-20-9-10-28(33)22-14-17-7-8-21(31)24-23(17)27(28,25(20)35-24)11-12-30(22)15-16-5-6-16/h2-4,7-8,13,16,20,22,25,31,33H,5-6,9-12,14-15H2,1H3,(H,29,32)
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3.80n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86929
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H32N2O5/c1-34-19-4-2-3-18(13-19)26(32)29-20-9-10-28(33)22-14-17-7-8-21(31)24-23(17)27(28,25(20)35-24)11-12-30(22)15-16-5-6-16/h2-4,7-8,13,16,20,22,25,31,33H,5-6,9-12,14-15H2,1H3,(H,29,32)
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5.82n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86926
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)
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6.83n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
OPRD1


(GUINEA PIG)
BDBM82553
PNG
(BETA-FUNALTREXAMINE | CAS_72786-10-8 | b-FNA-HCl)
Show SMILES COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
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7.70n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86445
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1
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7.71n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86442
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1
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7.86n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86924
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H30N2O6/c31-20-8-7-18-13-21-28(35)10-9-19(29-25(32)16-3-5-17(6-4-16)26(33)34)24-27(28,22(18)23(20)36-24)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,35H,1-2,9-14H2,(H,29,32)(H,33,34)
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10.1n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86928
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C29H34N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,21,23,27,32,34H,6-8,11-17H2,(H,30,33)
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12.2n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82553
PNG
(BETA-FUNALTREXAMINE | CAS_72786-10-8 | b-FNA-HCl)
Show SMILES COC(=O)\C=C\C(=O)NC1CC[C@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
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12.8n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86448
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1
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15.4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86923
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6OC2C3(CCN4CC2CC2)c56)c1
Show InChI InChI=1S/C29H34N2O5/c1-35-20-4-2-3-18(13-20)14-24(33)30-21-9-10-29(34)23-15-19-7-8-22(32)26-25(19)28(29,27(21)36-26)11-12-31(23)16-17-5-6-17/h2-4,7-8,13,17,21,23,27,32,34H,5-6,9-12,14-16H2,1H3,(H,30,33)
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15.8n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86926
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C29H34N2O6/c1-35-19-11-18(12-20(14-19)36-2)27(33)30-21-7-8-29(34)23-13-17-5-6-22(32)25-24(17)28(29,26(21)37-25)9-10-31(23)15-16-3-4-16/h5-6,11-12,14,16,21,23,26,32,34H,3-4,7-10,13,15H2,1-2H3,(H,30,33)
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17.6n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86444
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13+,15?,18+,20+,21?/m1/s1
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26.9n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86935
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C28H32N2O4/c31-21-9-8-19-15-22-28(33)11-10-20(29-23(32)14-17-4-2-1-3-5-17)26-27(28,24(19)25(21)34-26)12-13-30(22)16-18-6-7-18/h1-5,8-9,18,20,22,26,31,33H,6-7,10-16H2,(H,29,32)
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28n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86447
PNG
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)
Show SMILES COC12CC[C@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19+,21?,24-,26-,27?/m0/s1
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28.5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86448
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1
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43.2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86442
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1
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44.8n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86445
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1
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63.7n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
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