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143 similar compounds to monomer 50453225

Compile data set for download or QSAR
Wt: 395.5
BDBM50451002
Wt: 395.5
BDBM50451004
Wt: 425.5
BDBM21865
Wt: 467.4
BDBM82554
Wt: 287.3
BDBM86518
Purchase
Wt: 371.4
BDBM86519
Wt: 329.3
BDBM86520
Wt: 515.6
BDBM4209
Wt: 409.5
BDBM4782
Wt: 475.6
BDBM4200
Wt: 515.6
BDBM4049
Wt: 287.3
BDBM50452273
Purchase
Wt: 344.4
BDBM50021503
Wt: 384.4
BDBM50021500
Wt: 441.5
BDBM50000790
Displayed 1 to 15 (of 143 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 50451002,50451004,21865,82554,86518,86519,86520,4209,4782,4200,4049,50452273,50021503,50021500,50000790   
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
Mu-type opioid receptor


(MOUSE)
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4049
PNG
(US8530494, 111)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC
Show InChI InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(18-22-8-9-22)27(31)16-23-10-11-26(35-2)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


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



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


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


(Homo sapiens (Human))
BDBM4200
PNG
(US8530494, 210)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC
Show InChI InChI=1S/C30H37NO4/c1-19-7-5-6-8-21(19)17-34-18-22-16-28-11-12-30(22,33-4)27-29(28)13-14-31(2)24(28)15-20-9-10-23(32-3)26(35-27)25(20)29/h5-10,22,24,27H,11-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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US Patent
0.100n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4209
PNG
(US8530494, 107)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC
Show InChI InChI=1S/C33H41NO4/c1-21-5-4-6-23(15-21)19-37-20-25-17-31-11-12-33(25,36-3)30-32(31)13-14-34(18-22-7-8-22)27(31)16-24-9-10-26(35-2)29(38-30)28(24)32/h4-6,9-10,15,22,25,27,30H,7-8,11-14,16-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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0.180n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 423-8 (1995)


BindingDB Entry DOI: 10.7270/Q2TM78M9
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50451002
PNG
(CHEMBL2110199)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]31CC[C@]42OC(C)(C)C(C)(C)[C@H]2C1)ccc5O
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20-,23-,24+,25-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00085-2
BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM86518
PNG
(CAS_509-60-4 | DIHYDROMORPHINE | NSC_273032)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 1246-55 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9NN9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 1246-55 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9NN9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 1246-55 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9NN9
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]31CC[C@]42OC(C)(C)C(C)(C)[C@@H]2C1)ccc5O
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00085-2
BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


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



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


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


(Homo sapiens (Human))
BDBM4209
PNG
(US8530494, 107)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC
Show InChI InChI=1S/C33H41NO4/c1-21-5-4-6-23(15-21)19-37-20-25-17-31-11-12-33(25,36-3)30-32(31)13-14-34(18-22-7-8-22)27(31)16-24-9-10-26(35-2)29(38-30)28(24)32/h4-6,9-10,15,22,25,27,30H,7-8,11-14,16-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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US Patent
1.20n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM86518
PNG
(CAS_509-60-4 | DIHYDROMORPHINE | NSC_273032)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50021500
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(13R,14R,1...)
Show SMILES CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C22H28N2O4/c1-12(25)23-15-6-7-22(27)17-10-14-4-5-16(26)19-18(14)21(22,20(15)28-19)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26-27H,2-3,6-11H2,1H3,(H,23,25)/t15-,17-,20+,21+,22-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


Article DOI: 10.1021/jm00160a010
BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4049
PNG
(US8530494, 111)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC
Show InChI InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(18-22-8-9-22)27(31)16-23-10-11-26(35-2)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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US Patent
1.55n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4200
PNG
(US8530494, 210)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC
Show InChI InChI=1S/C30H37NO4/c1-19-7-5-6-8-21(19)17-34-18-22-16-28-11-12-30(22,33-4)27-29(28)13-14-31(2)24(28)15-20-9-10-23(32-3)26(35-27)25(20)29/h5-10,22,24,27H,11-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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US Patent
1.76n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM86520
PNG
(6-AcDHM)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O
Show InChI InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3
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1.83n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50451002
PNG
(CHEMBL2110199)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]31CC[C@]42OC(C)(C)C(C)(C)[C@H]2C1)ccc5O
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20-,23-,24+,25-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00085-2
BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50451002
PNG
(CHEMBL2110199)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]31CC[C@]42OC(C)(C)C(C)(C)[C@H]2C1)ccc5O
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20-,23-,24+,25-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00085-2
BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]31CC[C@]42OC(C)(C)C(C)(C)[C@@H]2C1)ccc5O
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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4.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00085-2
BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM4782
PNG
(US8530494, 12)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC#C)OC
Show InChI InChI=1S/C25H31NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h1,6-7,17,19,22H,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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US Patent
5.90n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]31CC[C@]42OC(C)(C)C(C)(C)[C@@H]2C1)ccc5O
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00085-2
BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM86519
PNG
(CAS_11221 | Dihydroheroin | NSC_11221)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O
Show InChI InChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3
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11.2n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM86520
PNG
(6-AcDHM)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O
Show InChI InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3
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12.3n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021500
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(13R,14R,1...)
Show SMILES CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C22H28N2O4/c1-12(25)23-15-6-7-22(27)17-10-14-4-5-16(26)19-18(14)21(22,20(15)28-19)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26-27H,2-3,6-11H2,1H3,(H,23,25)/t15-,17-,20+,21+,22-/m1/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


Article DOI: 10.1021/jm00160a010
BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(CALF)
BDBM86518
PNG
(CAS_509-60-4 | DIHYDROMORPHINE | NSC_273032)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3
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33.6n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021500
PNG
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(13R,14R,1...)
Show SMILES CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C22H28N2O4/c1-12(25)23-15-6-7-22(27)17-10-14-4-5-16(26)19-18(14)21(22,20(15)28-19)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26-27H,2-3,6-11H2,1H3,(H,23,25)/t15-,17-,20+,21+,22-/m1/s1
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38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


Article DOI: 10.1021/jm00160a010
BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM4782
PNG
(US8530494, 12)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC#C)OC
Show InChI InChI=1S/C25H31NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h1,6-7,17,19,22H,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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US Patent
42n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82554
PNG
(Beta C N A | CAS_115070 | NSC_115070)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)N(CCCl)CCCl
Show InChI InChI=1S/C24H32Cl2N2O3/c25-8-11-27(12-9-26)17-5-6-24(30)19-13-16-3-4-18(29)21-20(16)23(24,22(17)31-21)7-10-28(19)14-15-1-2-15/h3-4,15,17,19,22,29-30H,1-2,5-14H2
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115n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


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


(CALF)
BDBM86520
PNG
(6-AcDHM)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O
Show InChI InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3
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148n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50021503
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@@H]4NC(C)=O)ccc5O
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14+,17-,18-,19+/m0/s1
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


Article DOI: 10.1021/jm00160a010
BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM86518
PNG
(CAS_509-60-4 | DIHYDROMORPHINE | NSC_273032)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3
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183n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM86519
PNG
(CAS_11221 | Dihydroheroin | NSC_11221)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O
Show InChI InChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3
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191n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50021503
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@@H]4NC(C)=O)ccc5O
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14+,17-,18-,19+/m0/s1
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480n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


Article DOI: 10.1021/jm00160a010
BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(CALF)
BDBM86519
PNG
(CAS_11221 | Dihydroheroin | NSC_11221)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O
Show InChI InChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3
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536n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM86520
PNG
(6-AcDHM)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O
Show InChI InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3
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731n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
OPRD1


(Bos taurus)
BDBM86518
PNG
(CAS_509-60-4 | DIHYDROMORPHINE | NSC_273032)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O
Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM4782
PNG
(US8530494, 12)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC#C)OC
Show InChI InChI=1S/C25H31NO4/c1-5-12-29-15-17-14-23-8-9-25(17,28-4)22-24(23)10-11-26(2)19(23)13-16-6-7-18(27-3)21(30-22)20(16)24/h1,6-7,17,19,22H,8-15H2,2-4H3/t17?,19-,22?,23?,24+,25?/m1/s1
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US Patent
1.04E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
OPRD1


(Bos taurus)
BDBM86519
PNG
(CAS_11221 | Dihydroheroin | NSC_11221)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O
Show InChI InChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3
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2.47E+3n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM86519
PNG
(CAS_11221 | Dihydroheroin | NSC_11221)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O
Show InChI InChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3
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2.81E+3n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




Eur J Pharmacol 492: 123-30 (2004)


Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50021503
PNG
(1N-[10,17-dihydroxy-4-methyl-(13R,14S,17S)-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@@H]4NC(C)=O)ccc5O
Show InChI InChI=1S/C19H24N2O4/c1-10(22)20-12-5-6-19(24)14-9-11-3-4-13(23)16-15(11)18(19,17(12)25-16)7-8-21(14)2/h3-4,12,14,17,23-24H,5-9H2,1-2H3,(H,20,22)/t12-,14+,17-,18-,19+/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane


J Med Chem 29: 1855-61 (1986)


Article DOI: 10.1021/jm00160a010
BindingDB Entry DOI: 10.7270/Q21Z43DQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21865
PNG
((14beta)-17-(cyclopropylmethyl)-18-(1-hydroxy-1-me...)
Show SMILES COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1Cc4ccc(O)c5OC2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18?,19-,22?,24-,25+,26?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



NIDA Addiction Research Center

Curated by PDSP Ki Database




Life Sci 45: 1821-9 (1989)


BindingDB Entry DOI: 10.7270/Q20Z71SN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]31CC[C@]42OC(C)(C)C(C)(C)[C@@H]2C1)ccc5O
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00085-2
BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50000790
PNG
(CHEMBL76023 | methyl 2-[4-cyclopropylmethyl-10,17-...)
Show SMILES COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18-,19-,22+,24+,25-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]bremazocine binding to guinea pig brain membrane opioid receptors


J Med Chem 35: 2374-84 (1992)


Article DOI: 10.1021/jm00091a005
BindingDB Entry DOI: 10.7270/Q2GH9JKS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000790
PNG
(CHEMBL76023 | methyl 2-[4-cyclopropylmethyl-10,17-...)
Show SMILES COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18-,19-,22+,24+,25-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


J Med Chem 35: 2374-84 (1992)


Article DOI: 10.1021/jm00091a005
BindingDB Entry DOI: 10.7270/Q2GH9JKS
More data for this
Ligand-Target Pair
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