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PubMed code 15869877

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


(Homo sapiens (Human))
BDBM50166728
PNG
((3S,4aR,6S,8R,8aR)-6-Acetoxy-3-furan-3-yl-4a,8a-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)C2[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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1.30n/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
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 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
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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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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166724
PNG
((3S,4aR,6S,8R,8aR)-6-Butyryloxy-3-furan-3-yl-4a,8a...)
Show SMILES CCCC(=O)O[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/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 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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166729
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5...)
Show SMILES CCC(=O)O[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/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 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
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
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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166716
PNG
((3S,4aR,6R,8R,8aR)-6-Ethylamino-3-furan-3-yl-4a,8a...)
Show SMILES CCN[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/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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28.9n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166727
PNG
((3S,4aR,6S,8R,8aR)-6-Butoxy-3-furan-3-yl-4a,8a-dim...)
Show SMILES CCCCO[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/C25H34O7/c1-5-6-10-31-18-12-17(22(27)29-4)24(2)9-7-16-23(28)32-19(15-8-11-30-14-15)13-25(16,3)21(24)20(18)26/h8,11,14,16-19,21H,5-7,9-10,12-13H2,1-4H3/t16?,17-,18-,19-,21?,24-,25-/m0/s1
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35.8n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166733
PNG
((3S,4aR,6S,8R,8aR)-6-Allyloxy-3-furan-3-yl-4a,8a-d...)
Show SMILES COC(=O)[C@@H]1C[C@H](OCC=C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H30O7/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/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3/t15?,16-,17-,18-,20?,23-,24-/m0/s1
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60.1n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166725
PNG
((3S,4aR,6S,8R,8aR)-6-Benzyloxy-3-furan-3-yl-4a,8a-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OCc2ccccc2)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H32O7/c1-27-11-9-19-26(31)35-22(18-10-12-33-16-18)14-28(19,2)24(27)23(29)21(13-20(27)25(30)32-3)34-15-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,24H,9,11,13-15H2,1-3H3/t19?,20-,21-,22-,24?,27-,28-/m0/s1
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75.7n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166730
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-6-m...)
Show SMILES CNC(=O)O[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/C23H29NO8/c1-22-7-5-13-20(27)31-16(12-6-8-30-11-12)10-23(13,2)18(22)17(25)15(32-21(28)24-3)9-14(22)19(26)29-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3,(H,24,28)/t13?,14-,15-,16-,18?,22-,23-/m0/s1
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83n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166719
PNG
((3S,4aR,6R,8R,8aR)-6-Dimethylamino-3-furan-3-yl-4a...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C)C(=O)C2[C@@]1(C)CCC1C(=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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90.9n/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
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
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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166734
PNG
((3S,4aR,6S,8R,8aR)-6-Ethylcarbamoyloxy-3-furan-3-y...)
Show SMILES CCNC(=O)O[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/C24H31NO8/c1-5-25-22(29)33-16-10-15(20(27)30-4)23(2)8-6-14-21(28)32-17(13-7-9-31-12-13)11-24(14,3)19(23)18(16)26/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3,(H,25,29)/t14?,15-,16-,17-,19?,23-,24-/m0/s1
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462n/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
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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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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166731
PNG
((3S,4aR,6S,8R,8aR)-6-(2-Acetylamino-acetoxy)-3-fur...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)CNC(C)=O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C25H31NO9/c1-13(27)26-11-19(28)34-17-9-16(22(30)32-4)24(2)7-5-15-23(31)35-18(14-6-8-33-12-14)10-25(15,3)21(24)20(17)29/h6,8,12,15-18,21H,5,7,9-11H2,1-4H3,(H,26,27)/t15?,16-,17-,18-,21?,24-,25-/m0/s1
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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
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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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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166732
PNG
((3S,4aR,6S,8R,8aR)-6-((S)-2-Amino-propionyloxy)-3-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H31NO8/c1-12(25)20(27)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(13-6-8-31-11-13)10-24(14,3)19(23)18(16)26/h6,8,11-12,14-17,19H,5,7,9-10,25H2,1-4H3/t12-,14?,15-,16-,17-,19?,23-,24-/m0/s1
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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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166717
PNG
((3S,4aR,6R,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-6-m...)
Show SMILES CN[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/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 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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166719
PNG
((3S,4aR,6R,8R,8aR)-6-Dimethylamino-3-furan-3-yl-4a...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C)C(=O)C2[C@@]1(C)CCC1C(=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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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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166734
PNG
((3S,4aR,6S,8R,8aR)-6-Ethylcarbamoyloxy-3-furan-3-y...)
Show SMILES CCNC(=O)O[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/C24H31NO8/c1-5-25-22(29)33-16-10-15(20(27)30-4)23(2)8-6-14-21(28)32-17(13-7-9-31-12-13)11-24(14,3)19(23)18(16)26/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3,(H,25,29)/t14?,15-,16-,17-,19?,23-,24-/m0/s1
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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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166728
PNG
((3S,4aR,6S,8R,8aR)-6-Acetoxy-3-furan-3-yl-4a,8a-di...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)C2[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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n/an/an/an/a 4.5n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166729
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5...)
Show SMILES CCC(=O)O[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/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 20.4n/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
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
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
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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166716
PNG
((3S,4aR,6R,8R,8aR)-6-Ethylamino-3-furan-3-yl-4a,8a...)
Show SMILES CCN[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/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 68.9n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166730
PNG
((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-6-m...)
Show SMILES CNC(=O)O[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/C23H29NO8/c1-22-7-5-13-20(27)31-16(12-6-8-30-11-12)10-23(13,2)18(22)17(25)15(32-21(28)24-3)9-14(22)19(26)29-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3,(H,24,28)/t13?,14-,15-,16-,18?,22-,23-/m0/s1
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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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166733
PNG
((3S,4aR,6S,8R,8aR)-6-Allyloxy-3-furan-3-yl-4a,8a-d...)
Show SMILES COC(=O)[C@@H]1C[C@H](OCC=C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H30O7/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/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3/t15?,16-,17-,18-,20?,23-,24-/m0/s1
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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
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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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
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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166725
PNG
((3S,4aR,6S,8R,8aR)-6-Benzyloxy-3-furan-3-yl-4a,8a-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OCc2ccccc2)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H32O7/c1-27-11-9-19-26(31)35-22(18-10-12-33-16-18)14-28(19,2)24(27)23(29)21(13-20(27)25(30)32-3)34-15-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,24H,9,11,13-15H2,1-3H3/t19?,20-,21-,22-,24?,27-,28-/m0/s1
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n/an/an/an/a 161n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166727
PNG
((3S,4aR,6S,8R,8aR)-6-Butoxy-3-furan-3-yl-4a,8a-dim...)
Show SMILES CCCCO[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/C25H34O7/c1-5-6-10-31-18-12-17(22(27)29-4)24(2)9-7-16-23(28)32-19(15-8-11-30-14-15)13-25(16,3)21(24)20(18)26/h8,11,14,16-19,21H,5-7,9-10,12-13H2,1-4H3/t16?,17-,18-,19-,21?,24-,25-/m0/s1
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n/an/an/an/a 104n/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
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
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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166724
PNG
((3S,4aR,6S,8R,8aR)-6-Butyryloxy-3-furan-3-yl-4a,8a...)
Show SMILES CCCC(=O)O[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/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
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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%