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PubMed code 16051487

Compile data set for download or QSAR
Found 42 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))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
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



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171161
PNG
(2-[((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-...)
Show SMILES CC(NC(=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)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H37NO9/c1-18(29(37)40-16-20-8-6-5-7-9-20)33-28(36)23-14-24(41-19(2)34)26(35)27-31(23,3)12-10-22-30(38)42-25(15-32(22,27)4)21-11-13-39-17-21/h5-9,11,13,17-18,22-25,27H,10,12,14-16H2,1-4H3,(H,33,36)/t18?,22-,23-,24-,25-,27-,31-,32-/m0/s1
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 27n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171166
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CCOC(=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/C24H30O8/c1-5-30-21(27)16-10-17(31-13(2)25)19(26)20-23(16,3)8-6-15-22(28)32-18(11-24(15,20)4)14-7-9-29-12-14/h7,9,12,15-18,20H,5-6,8,10-11H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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 29n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171151
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(O)=O)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H26O8/c1-11(23)29-15-8-14(19(25)26)21(2)6-4-13-20(27)30-16(12-5-7-28-10-12)9-22(13,3)18(21)17(15)24/h5,7,10,13-16,18H,4,6,8-9H2,1-3H3,(H,25,26)/t13-,14+,15+,16+,18+,21+,22+/m1/s1
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 49n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171170
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COCOC(=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/C24H30O9/c1-13(25)32-17-9-16(21(27)31-12-29-4)23(2)7-5-15-22(28)33-18(14-6-8-30-11-14)10-24(15,3)20(23)19(17)26/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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 100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171150
PNG
((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COCOC(=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/C24H30O9/c1-13(25)32-17-9-16(21(27)31-12-29-4)23(2)7-5-15-22(28)33-18(14-6-8-30-11-14)10-24(15,3)20(23)19(17)26/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16+,17+,18+,20+,23+,24+/m1/s1
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 110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171156
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C27H32O8/c1-5-6-7-11-33-24(30)19-13-20(34-16(2)28)22(29)23-26(19,3)10-8-18-25(31)35-21(14-27(18,23)4)17-9-12-32-15-17/h1,9,12,15,18-21,23H,6-8,10-11,13-14H2,2-4H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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 201n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171157
PNG
(1-((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C34H39NO9/c1-20(36)43-26-16-24(30(38)35-14-7-10-25(35)32(40)42-18-21-8-5-4-6-9-21)33(2)13-11-23-31(39)44-27(22-12-15-41-19-22)17-34(23,3)29(33)28(26)37/h4-6,8-9,12,15,19,23-27,29H,7,10-11,13-14,16-18H2,1-3H3/t23-,24-,25?,26-,27-,29-,33-,34-/m0/s1
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 210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171154
PNG
(CHEMBL263576 | [((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Ace...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C31H35NO9/c1-18(33)40-23-13-22(28(36)32-15-25(34)39-16-19-7-5-4-6-8-19)30(2)11-9-21-29(37)41-24(20-10-12-38-17-20)14-31(21,3)27(30)26(23)35/h4-8,10,12,17,21-24,27H,9,11,13-16H2,1-3H3,(H,32,36)/t21-,22-,23-,24-,27-,30-,31-/m0/s1
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 470n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171165
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aS)-8-cyclopro...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NC2CC2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H31NO7/c1-13(27)32-18-10-17(22(29)26-15-4-5-15)24(2)8-6-16-23(30)33-19(14-7-9-31-12-14)11-25(16,3)21(24)20(18)28/h7,9,12,15-19,21H,4-6,8,10-11H2,1-3H3,(H,26,29)/t16-,17+,18+,19+,21+,24+,25+/m1/s1
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 475n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171162
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-8-(2-cyano...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCCC#N)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H30N2O7/c1-14(28)33-18-11-17(22(30)27-9-4-8-26)24(2)7-5-16-23(31)34-19(15-6-10-32-13-15)12-25(16,3)21(24)20(18)29/h6,10,13,16-19,21H,4-5,7,9,11-12H2,1-3H3,(H,27,30)/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171173
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-3-furan-3-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NN2CCOCC2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H34N2O8/c1-15(29)35-19-12-18(23(31)27-28-7-10-33-11-8-28)25(2)6-4-17-24(32)36-20(16-5-9-34-14-16)13-26(17,3)22(25)21(19)30/h5,9,14,17-20,22H,4,6-8,10-13H2,1-3H3,(H,27,31)/t17-,18-,19-,20-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171176
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-3-furan-3-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCCO)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C24H31NO8/c1-13(27)32-17-10-16(21(29)25-7-8-26)23(2)6-4-15-22(30)33-18(14-5-9-31-12-14)11-24(15,3)20(23)19(17)28/h5,9,12,15-18,20,26H,4,6-8,10-11H2,1-3H3,(H,25,29)/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171155
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CCCOC(=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/C25H32O8/c1-5-9-31-22(28)17-11-18(32-14(2)26)20(27)21-24(17,3)8-6-16-23(29)33-19(12-25(16,21)4)15-7-10-30-13-15/h7,10,13,16-19,21H,5-6,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171180
PNG
((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CCOC(=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/C24H30O8/c1-5-30-21(27)16-10-17(31-13(2)25)19(26)20-23(16,3)8-6-15-22(28)32-18(11-24(15,20)4)14-7-9-29-12-14/h7,9,12,15-18,20H,5-6,8,10-11H2,1-4H3/t15-,16+,17+,18+,20+,23+,24+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171153
PNG
(2-[((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-...)
Show SMILES CC(NC(=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)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H37NO9/c1-18(29(37)40-16-20-8-6-5-7-9-20)33-28(36)23-14-24(41-19(2)34)26(35)27-31(23,3)12-10-22-30(38)42-25(15-32(22,27)4)21-11-13-39-17-21/h5-9,11,13,17-18,22-25,27H,10,12,14-16H2,1-4H3,(H,33,36)/t18?,22-,23+,24+,25+,27+,31+,32+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171158
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C29H32O8/c1-17(30)36-22-13-21(26(32)35-15-18-7-5-4-6-8-18)28(2)11-9-20-27(33)37-23(19-10-12-34-16-19)14-29(20,3)25(28)24(22)31/h4-8,10,12,16,20-23,25H,9,11,13-15H2,1-3H3/t20-,21-,22-,23-,25-,28-,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171160
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCCC#C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H30O8/c1-5-6-10-32-23(29)18-12-19(33-15(2)27)21(28)22-25(18,3)9-7-17-24(30)34-20(13-26(17,22)4)16-8-11-31-14-16/h1,8,11,14,17-20,22H,6-7,9-10,12-13H2,2-4H3/t17-,18-,19-,20-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171175
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-8-benzylca...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C29H33NO7/c1-17(31)36-22-13-21(26(33)30-15-18-7-5-4-6-8-18)28(2)11-9-20-27(34)37-23(19-10-12-35-16-19)14-29(20,3)25(28)24(22)32/h4-8,10,12,16,20-23,25H,9,11,13-15H2,1-3H3,(H,30,33)/t20-,21-,22-,23-,25-,28-,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171177
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-8-cyclopro...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NC2CC2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H31NO7/c1-13(27)32-18-10-17(22(29)26-15-4-5-15)24(2)8-6-16-23(30)33-19(14-7-9-31-12-14)11-25(16,3)21(24)20(18)28/h7,9,12,15-19,21H,4-6,8,10-11H2,1-3H3,(H,26,29)/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171169
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCC=C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H30O8/c1-5-9-31-22(28)17-11-18(32-14(2)26)20(27)21-24(17,3)8-6-16-23(29)33-19(12-25(16,21)4)15-7-10-30-13-15/h5,7,10,13,16-19,21H,1,6,8-9,11-12H2,2-4H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171159
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-3-furan-3-...)
Show SMILES CC1CCN(CC1)NC(=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/C28H38N2O7/c1-16-6-10-30(11-7-16)29-25(33)20-13-21(36-17(2)31)23(32)24-27(20,3)9-5-19-26(34)37-22(14-28(19,24)4)18-8-12-35-15-18/h8,12,15-16,19-22,24H,5-7,9-11,13-14H2,1-4H3,(H,29,33)/t19-,20-,21-,22-,24-,27-,28-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171164
PNG
(2-[((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NC(CO)C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C32H37NO10/c1-18(35)42-24-13-22(28(37)33-23(15-34)30(39)41-16-19-7-5-4-6-8-19)31(2)11-9-21-29(38)43-25(20-10-12-40-17-20)14-32(21,3)27(31)26(24)36/h4-8,10,12,17,21-25,27,34H,9,11,13-16H2,1-3H3,(H,33,37)/t21-,22-,23?,24-,25-,27-,31-,32-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171168
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CCCCOC(=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/C26H34O8/c1-5-6-10-32-23(29)18-12-19(33-15(2)27)21(28)22-25(18,3)9-7-17-24(30)34-20(13-26(17,22)4)16-8-11-31-14-16/h8,11,14,17-20,22H,5-7,9-10,12-13H2,1-4H3/t17-,18-,19-,20-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171152
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CCCCCOC(=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/C27H36O8/c1-5-6-7-11-33-24(30)19-13-20(34-16(2)28)22(29)23-26(19,3)10-8-18-25(31)35-21(14-27(18,23)4)17-9-12-32-15-17/h9,12,15,18-21,23H,5-8,10-11,13-14H2,1-4H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171178
PNG
(2-[((1R,2R,4bR,8S,9S,10R)-6-Acetoxy-3-(S)-furan-3-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NC(Cc2cnc[nH]2)C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C35H39N3O9/c1-20(39)46-27-14-25(31(41)38-26(13-23-16-36-19-37-23)33(43)45-17-21-7-5-4-6-8-21)34(2)11-9-24-32(42)47-28(22-10-12-44-18-22)15-35(24,3)30(34)29(27)40/h4-8,10,12,16,18-19,24-28,30H,9,11,13-15,17H2,1-3H3,(H,36,37)(H,38,41)/t24-,25-,26?,27-,28-,30-,34-,35-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171163
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-3-furan-3-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C30H35NO7/c1-18(32)37-23-15-22(27(34)31-13-10-19-7-5-4-6-8-19)29(2)12-9-21-28(35)38-24(20-11-14-36-17-20)16-30(21,3)26(29)25(23)33/h4-8,11,14,17,21-24,26H,9-10,12-13,15-16H2,1-3H3,(H,31,34)/t21-,22-,23-,24-,26-,29-,30-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171171
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CCCCCCCCOC(=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/C30H42O8/c1-5-6-7-8-9-10-14-36-27(33)22-16-23(37-19(2)31)25(32)26-29(22,3)13-11-21-28(34)38-24(17-30(21,26)4)20-12-15-35-18-20/h12,15,18,21-24,26H,5-11,13-14,16-17H2,1-4H3/t21-,22-,23-,24-,26-,29-,30-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171167
PNG
(1-((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C34H39NO9/c1-20(36)43-26-16-24(30(38)35-14-7-10-25(35)32(40)42-18-21-8-5-4-6-9-21)33(2)13-11-23-31(39)44-27(22-12-15-41-19-22)17-34(23,3)29(33)28(26)37/h4-6,8-9,12,15,19,23-27,29H,7,10-11,13-14,16-18H2,1-3H3/t23-,24+,25?,26+,27+,29+,33+,34+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171174
PNG
((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C27H32O8/c1-5-6-7-11-33-24(30)19-13-20(34-16(2)28)22(29)23-26(19,3)10-8-18-25(31)35-21(14-27(18,23)4)17-9-12-32-15-17/h1,9,12,15,18-21,23H,6-8,10-11,13-14H2,2-4H3/t18-,19+,20+,21+,23+,26+,27+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171179
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(O)=O)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H26O8/c1-11(23)29-15-8-14(19(25)26)21(2)6-4-13-20(27)30-16(12-5-7-28-10-12)9-22(13,3)18(21)17(15)24/h5,7,10,13-16,18H,4,6,8-9H2,1-3H3,(H,25,26)/t13-,14-,15-,16-,18-,21-,22-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171172
PNG
(CHEMBL370546 | [((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Ace...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C31H35NO9/c1-18(33)40-23-13-22(28(36)32-15-25(34)39-16-19-7-5-4-6-8-19)30(2)11-9-21-29(37)41-24(20-10-12-38-17-20)14-31(21,3)27(30)26(23)35/h4-8,10,12,17,21-24,27H,9,11,13-16H2,1-3H3,(H,32,36)/t21-,22+,23+,24+,27+,30+,31+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
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 3.40n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171154
PNG
(CHEMBL263576 | [((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Ace...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCC(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C31H35NO9/c1-18(33)40-23-13-22(28(36)32-15-25(34)39-16-19-7-5-4-6-8-19)30(2)11-9-21-29(37)41-24(20-10-12-38-17-20)14-31(21,3)27(30)26(23)35/h4-8,10,12,17,21-24,27H,9,11,13-16H2,1-3H3,(H,32,36)/t21-,22-,23-,24-,27-,30-,31-/m0/s1
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n/an/an/an/a 227n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171150
PNG
((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COCOC(=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/C24H30O9/c1-13(25)32-17-9-16(21(27)31-12-29-4)23(2)7-5-15-22(28)33-18(14-6-8-30-11-14)10-24(15,3)20(23)19(17)26/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16+,17+,18+,20+,23+,24+/m1/s1
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n/an/an/an/a 191n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171151
PNG
((2S,4aS,6aR,7R,9S,10aS,10bR)-9-acetoxy-2-(furan-3-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(O)=O)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H26O8/c1-11(23)29-15-8-14(19(25)26)21(2)6-4-13-20(27)30-16(12-5-7-28-10-12)9-22(13,3)18(21)17(15)24/h5,7,10,13-16,18H,4,6,8-9H2,1-3H3,(H,25,26)/t13-,14+,15+,16+,18+,21+,22+/m1/s1
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n/an/an/an/a 74n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171170
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COCOC(=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/C24H30O9/c1-13(25)32-17-9-16(21(27)31-12-29-4)23(2)7-5-15-22(28)33-18(14-6-8-30-11-14)10-24(15,3)20(23)19(17)26/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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n/an/an/an/a 58n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171165
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aS)-8-cyclopro...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NC2CC2)[C@]2(C)CC[C@@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H31NO7/c1-13(27)32-18-10-17(22(29)26-15-4-5-15)24(2)8-6-16-23(30)33-19(14-7-9-31-12-14)11-25(16,3)21(24)20(18)28/h7,9,12,15-19,21H,4-6,8,10-11H2,1-3H3,(H,26,29)/t16-,17+,18+,19+,21+,24+,25+/m1/s1
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n/an/an/an/a 840n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171161
PNG
(2-[((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-...)
Show SMILES CC(NC(=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)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H37NO9/c1-18(29(37)40-16-20-8-6-5-7-9-20)33-28(36)23-14-24(41-19(2)34)26(35)27-31(23,3)12-10-22-30(38)42-25(15-32(22,27)4)21-11-13-39-17-21/h5-9,11,13,17-18,22-25,27H,10,12,14-16H2,1-4H3,(H,33,36)/t18?,22-,23-,24-,25-,27-,31-,32-/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171156
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)OCCCC#C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C27H32O8/c1-5-6-7-11-33-24(30)19-13-20(34-16(2)28)22(29)23-26(19,3)10-8-18-25(31)35-21(14-27(18,23)4)17-9-12-32-15-17/h1,9,12,15,18-21,23H,6-8,10-11,13-14H2,2-4H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1
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n/an/an/an/a 224n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171157
PNG
(1-((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C34H39NO9/c1-20(36)43-26-16-24(30(38)35-14-7-10-25(35)32(40)42-18-21-8-5-4-6-9-21)33(2)13-11-23-31(39)44-27(22-12-15-41-19-22)17-34(23,3)29(33)28(26)37/h4-6,8-9,12,15,19,23-27,29H,7,10-11,13-14,16-18H2,1-3H3/t23-,24-,25?,26-,27-,29-,33-,34-/m0/s1
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n/an/an/an/a 348n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50171166
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES CCOC(=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/C24H30O8/c1-5-30-21(27)16-10-17(31-13(2)25)19(26)20-23(16,3)8-6-15-22(28)32-18(11-24(15,20)4)14-7-9-29-12-14/h7,9,12,15-18,20H,5-6,8,10-11H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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n/an/an/an/a 94n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%