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PubMed code 10743951

Compile data set for download or QSAR
Found 9 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
Mu opioid receptor


(CALF)
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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740n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL




Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of calf cortex using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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3.50E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 of calf cortex using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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3.80E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of calf cortex using [3H]U-69593 as radioligand


Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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4.80E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of calf cortex using [3H]-U-69,593 as radioligand


Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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5.10E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL




Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL




Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
Mu opioid receptor


(CALF)
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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1.30E+4n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL




Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086682
PNG
((+)-18-Methoxycoronaridine hydrochloride | (+/-)-1...)
Show SMILES COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC |TLB:3:4:20.21:8.7,23:20:8.7:4.5,THB:12:20:8.7:4.5,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5|
Show InChI InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of calf cortex using [3H]-U-69,593 as radioligand


Bioorg Med Chem Lett 10: 473-6 (2000)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%