BDBM50370595 OXYCODONE::Oxycontin::US9233167, Oxycodone

SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI Key InChIKey=BRUQQQPBMZOVGD-XFKAJCMBSA-N

Data  16 KI  3 IC50  9 EC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50370595   

TargetMu-type opioid receptor(Rattus norvegicus (rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  8.90nMAssay Description:Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysisMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  12nMAssay Description:Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  12nMAssay Description:Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  43.6nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor of rat brain membranesMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  133nM ΔG°:  -9.37kcal/moleT: 2°CAssay Description:Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  325nMAssay Description:Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysisMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  487nMAssay Description:Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysisMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  1.09E+3nMAssay Description:Displacement of [3H[Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranesMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Rattus norvegicus (rat))
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi:  2.66E+3nMAssay Description:Displacement of [3H]U-69593 from kappa opioid receptor of rat brain membranesMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain membraneMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...More data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of 3H](+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation count...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1/2(Rattus norvegicus (Rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1/2(Rattus norvegicus (Rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysisMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membraneMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  17nMAssay Description:Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assayMore data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
ESTEVE Pharmaceuticals S.A.

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Biological Research Centre of the Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  25nMAssay Description:Agonist activity at MOR in Wistar rat brain membranes after 60 mins by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Medicine Greifswald

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysisMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  17nMAssay Description:Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  500nMAssay Description:Agonist activity at human MOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(MOUSE)
University of Texas at Austin

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  160nMAssay Description:Agonist activity at mouse MOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assayMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Mus musculus (Mouse))
University of Texas at Austin

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  1.60E+4nMAssay Description:Agonist activity at mouse KOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assayMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Texas at Austin

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  4.00E+3nMAssay Description:Agonist activity at human DOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assayMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Texas at Austin

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  1.60E+4nMAssay Description:Agonist activity at human KOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assayMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataIC50: 7.62E+4nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
ESTEVE Pharmaceuticals SA

Curated by ChEMBL
LigandPNGBDBM50370595(OXYCODONE | Oxycontin | US9233167, Oxycodone)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Affinity DataEC50:  478nMT: 2°CAssay Description:Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...More data for this Ligand-Target Pair