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120 similar compounds to monomer 50159165

Wt: 432.4
BDBM86548
Purchase
Wt: 432.4
BDBM98547
Wt: 418.4
BDBM50159161
Wt: 418.4
BDBM50159163
Wt: 476.5
BDBM50159166
Wt: 432.4
BDBM50159169
Wt: 404.4
BDBM50159170
Wt: 418.4
BDBM50159172
Wt: 434.4
BDBM50159173
Wt: 433.4
BDBM50166715
Wt: 432.5
BDBM50166718
Wt: 390.4
BDBM50166720
Wt: 404.4
BDBM50166721
Wt: 475.5
BDBM50166722
Wt: 418.4
BDBM50166723
Displayed 1 to 15 (of 120 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 86548,98547,50159161,50159163,50159166,50159169,50159170,50159172,50159173,50166715,50166718,50166720,50166721,50166722,50166723   
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))
BDBM50166715
PNG
((3S,4aR,6S,8R,8aR)-6-Carbamoyloxy-3-furan-3-yl-4a,...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(N)=O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C22H27NO8/c1-21-6-4-12-19(26)30-15(11-5-7-29-10-11)9-22(12,2)17(21)16(24)14(31-20(23)27)8-13(21)18(25)28-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3,(H2,23,27)/t12?,13-,14-,15-,17?,21-,22-/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 Opioid receptor kappa 1 expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM86548
PNG
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)
Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)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
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4.60n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 220-30 (2005)


Article DOI: 10.1124/jpet.104.073668
BindingDB Entry DOI: 10.7270/Q26T0K6G
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50159161
PNG
((3S,4aS,4bR,6S,8R,8aR,10aR)-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]1CO[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H30O7/c1-13(24)30-17-9-16(21(26)27-4)22(2)7-5-15-12-29-18(14-6-8-28-11-14)10-23(15,3)20(22)19(17)25/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,22-,23-/m0/s1
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6n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by PDSP Ki Database


Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells


J Med Chem 48: 345-8 (2005)


Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM86548
PNG
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)
Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)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
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7.90n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 220-30 (2005)


Article DOI: 10.1124/jpet.104.073668
BindingDB Entry DOI: 10.7270/Q26T0K6G
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166723
PNG
((3S,4aR,6S,8R,8aR)-6-Ethoxy-3-furan-3-yl-4a,8a-dim...)
Show SMILES CCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=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 Opioid receptor kappa 1 expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50159163
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1)OC(C)=O
Show InChI InChI=1S/C23H30O7/c1-13(24)29-15-9-17(20(25)27-4)22(2)7-5-16-21(26)30-18(14-6-8-28-12-14)11-23(16,3)19(22)10-15/h6,8,12,15-19H,5,7,9-11H2,1-4H3/t15-,16-,17-,18-,19-,22-,23-/m0/s1
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18n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by PDSP Ki Database


Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells


J Med Chem 48: 345-8 (2005)


Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50159172
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Formyloxy-3-furan-3-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC=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/C22H26O8/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10-11,13-16,18H,4,6,8-9H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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18n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by PDSP Ki Database


Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells


J Med Chem 48: 345-8 (2005)


Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166718
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5...)
Show SMILES CCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
Show InChI InChI=1S/C24H32O7/c1-5-9-30-17-11-16(21(26)28-4)23(2)8-6-15-22(27)31-18(14-7-10-29-13-14)12-24(15,3)20(23)19(17)25/h7,10,13,15-18,20H,5-6,8-9,11-12H2,1-4H3/t15?,16-,17-,18-,20?,23-,24-/m0/s1
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28.7n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM86548
PNG
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)
Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)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
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31.6n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Biochemistry 44: 8643-51 (2005)


Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM98547
PNG
(US8492564, 6)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CCC1C(=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-/m0/s1
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US Patent
41n/an/an/an/an/an/an/an/a



The McLean Hospital Corporation; Temple University School of Medicine

US Patent


Assay Description
In vitro binding assay: The affinities of compounds for opioid receptors were determined by competitive inhibition of [3H]diprenorphine binding to ka...


US Patent US8492564 (2013)


BindingDB Entry DOI: 10.7270/Q2NV9GW0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50159170
PNG
((2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hyd...)
Show SMILES CC(=O)O[C@H]1C[C@@H](CO)[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/c1-12(24)28-16-8-14(10-23)21(2)6-4-15-20(26)29-17(13-5-7-27-11-13)9-22(15,3)19(21)18(16)25/h5,7,11,14-17,19,23H,4,6,8-10H2,1-3H3/t14-,15-,16-,17-,19-,21-,22-/m0/s1
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43.4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5498-502 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.051
BindingDB Entry DOI: 10.7270/Q2QN66CC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM86548
PNG
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)
Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)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
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45.8n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Biochemistry 44: 8643-51 (2005)


Article DOI: 10.1021/bi050490d
BindingDB Entry DOI: 10.7270/Q2QN65BH
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50159173
PNG
((3S,4aS,4bR,6S,8R,8aR,10aR)-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/C23H30O8/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/h6,8,11,14-17,19,21,27H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,21?,22-,23-/m0/s1
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59n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by PDSP Ki Database


Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells


J Med Chem 48: 345-8 (2005)


Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J
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
BindingDB Entry DOI: 10.7270/Q2GX4B55
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166720
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-hydroxy-4a,8a-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CCC1C(=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 Opioid receptor kappa 1 expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
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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163n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by PDSP Ki Database


Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells


J Med Chem 48: 345-8 (2005)


Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166721
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-methoxy-4a,8a-di...)
Show SMILES CO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=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 Opioid receptor kappa 1 expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50159170
PNG
((2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hyd...)
Show SMILES CC(=O)O[C@H]1C[C@@H](CO)[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/c1-12(24)28-16-8-14(10-23)21(2)6-4-15-20(26)29-17(13-5-7-27-11-13)9-22(15,3)19(21)18(16)25/h5,7,11,14-17,19,23H,4,6,8-10H2,1-3H3/t14-,15-,16-,17-,19-,21-,22-/m0/s1
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347n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by PDSP Ki Database


Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells


J Med Chem 48: 345-8 (2005)


Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50159166
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5,6-Diacetoxy-3-fur...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21-,24-,25-/m0/s1
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650n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50159166
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5,6-Diacetoxy-3-fur...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21-,24-,25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by PDSP Ki Database


Assay Description
Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells


J Med Chem 48: 345-8 (2005)


Article DOI: 10.1021/jm049438q
BindingDB Entry DOI: 10.7270/Q2CJ8D0J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50159166
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5,6-Diacetoxy-3-fur...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21-,24-,25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166722
PNG
((3S,4aR,6S,8R,8aR)-6-(2-Dimethylamino-acetoxy)-3-f...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CN(C)C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H33NO8/c1-24-8-6-15-23(30)34-18(14-7-9-32-13-14)11-25(15,2)21(24)20(28)17(10-16(24)22(29)31-5)33-19(27)12-26(3)4/h7,9,13,15-18,21H,6,8,10-12H2,1-5H3/t15?,16-,17-,18-,21?,24-,25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50159166
PNG
((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5,6-Diacetoxy-3-fur...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21-,24-,25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor delta1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166722
PNG
((3S,4aR,6S,8R,8aR)-6-(2-Dimethylamino-acetoxy)-3-f...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CN(C)C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H33NO8/c1-24-8-6-15-23(30)34-18(14-7-9-32-13-14)11-25(15,2)21(24)20(28)17(10-16(24)22(29)31-5)33-19(27)12-26(3)4/h7,9,13,15-18,21H,6,8,10-12H2,1-5H3/t15?,16-,17-,18-,21?,24-,25-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166720
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-hydroxy-4a,8a-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CCC1C(=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
Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50159170
PNG
((2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hyd...)
Show SMILES CC(=O)O[C@H]1C[C@@H](CO)[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/c1-12(24)28-16-8-14(10-23)21(2)6-4-15-20(26)29-17(13-5-7-27-11-13)9-22(15,3)19(21)18(16)25/h5,7,11,14-17,19,23H,4,6,8-10H2,1-3H3/t14-,15-,16-,17-,19-,21-,22-/m0/s1
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n/an/an/an/a 20.7n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding potency at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 16: 5498-502 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.051
BindingDB Entry DOI: 10.7270/Q2QN66CC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50159163
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1)OC(C)=O
Show InChI InChI=1S/C23H30O7/c1-13(24)29-15-9-17(20(25)27-4)22(2)7-5-16-21(26)30-18(14-6-8-28-12-14)11-23(16,3)19(22)10-15/h6,8,12,15-19H,5,7,9-11H2,1-4H3/t15-,16-,17-,18-,19-,22-,23-/m0/s1
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n/an/an/an/a 3.34n/an/an/an/a



Holden Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor assessed as inhibition of Galpha16-induced calcium flux


Bioorg Med Chem Lett 17: 6111-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.050
BindingDB Entry DOI: 10.7270/Q23T9GZK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166723
PNG
((3S,4aR,6S,8R,8aR)-6-Ethoxy-3-furan-3-yl-4a,8a-dim...)
Show SMILES CCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=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 18.6n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50159163
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COC(=O)[C@@H]1C[C@@H](C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1)OC(C)=O
Show InChI InChI=1S/C23H30O7/c1-13(24)29-15-9-17(20(25)27-4)22(2)7-5-16-21(26)30-18(14-6-8-28-12-14)11-23(16,3)19(22)10-15/h6,8,12,15-19H,5,7,9-11H2,1-4H3/t15-,16-,17-,18-,19-,22-,23-/m0/s1
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n/an/an/an/a 280n/an/an/an/a



Holden Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 6111-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.050
BindingDB Entry DOI: 10.7270/Q23T9GZK
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
BindingDB Entry DOI: 10.7270/Q2GX4B55
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166718
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5...)
Show SMILES CCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1
Show InChI InChI=1S/C24H32O7/c1-5-9-30-17-11-16(21(26)28-4)23(2)8-6-15-22(27)31-18(14-7-10-29-13-14)12-24(15,3)20(23)19(17)25/h7,10,13,15-18,20H,5-6,8-9,11-12H2,1-4H3/t15?,16-,17-,18-,20?,23-,24-/m0/s1
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n/an/an/an/a 67.4n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166715
PNG
((3S,4aR,6S,8R,8aR)-6-Carbamoyloxy-3-furan-3-yl-4a,...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(N)=O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C22H27NO8/c1-21-6-4-12-19(26)30-15(11-5-7-29-10-11)9-22(12,2)17(21)16(24)14(31-20(23)27)8-13(21)18(25)28-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3,(H2,23,27)/t12?,13-,14-,15-,17?,21-,22-/m0/s1
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n/an/an/an/a 6.20n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50166721
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-methoxy-4a,8a-di...)
Show SMILES CO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=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
Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair