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PubMed code 6268789

Compile data set for download or QSAR
Found 22 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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223637
PNG
(Alphacemethadone | Alphacetylmethadol)
Show SMILES CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223633
PNG
(Levomethadone)
Show SMILES CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223637
PNG
(Alphacemethadone | Alphacetylmethadol)
Show SMILES CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/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/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223631
PNG
(Betacetylmethadol)
Show SMILES CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223633
PNG
(Levomethadone)
Show SMILES CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223640
PNG
((S)-Methadone | CHEMBL350719)
Show SMILES [H][C@](C)(CC(C(=O)CC)(c1ccccc1)c1ccccc1)N(C)C
Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223639
PNG
(CHEMBL171118)
Show SMILES CCC(O)C(CC(C)N(C)CC=C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H31NO/c1-5-17-24(4)19(3)18-23(22(25)6-2,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,19,22,25H,1,6,17-18H2,2-4H3
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/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/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223632
PNG
(Alphamethadol)
Show SMILES CC[C@@H](O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m1/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223632
PNG
(Alphamethadol)
Show SMILES CC[C@@H](O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m1/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone opiate receptor binding using rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223631
PNG
(Betacetylmethadol)
Show SMILES CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1
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450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223635
PNG
(CHEMBL355396)
Show SMILES CCC(O)C(CC(C)N(C)CC1CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H33NO/c1-4-23(26)24(21-11-7-5-8-12-21,22-13-9-6-10-14-22)17-19(2)25(3)18-20-15-16-20/h5-14,19-20,23,26H,4,15-18H2,1-3H3
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223636
PNG
(CHEMBL173964)
Show SMILES CCC(OC(C)=O)C(CC(C)N(C)CC=C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-6-18-26(5)20(3)19-25(22-14-10-8-11-15-22,23-16-12-9-13-17-23)24(7-2)28-21(4)27/h6,8-17,20,24H,1,7,18-19H2,2-5H3
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900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone Opioid receptors binding using rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223634
PNG
(CHEMBL1325)
Show SMILES CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223639
PNG
(CHEMBL171118)
Show SMILES CCC(O)C(CC(C)N(C)CC=C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H31NO/c1-5-17-24(4)19(3)18-23(22(25)6-2,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,19,22,25H,1,6,17-18H2,2-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223638
PNG
(CHEMBL367330)
Show SMILES CCC(OC(C)=O)C(CC(C)N(C)CC1CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H35NO2/c1-5-25(29-21(3)28)26(23-12-8-6-9-13-23,24-14-10-7-11-15-24)18-20(2)27(4)19-22-16-17-22/h6-15,20,22,25H,5,16-19H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223640
PNG
((S)-Methadone | CHEMBL350719)
Show SMILES [H][C@](C)(CC(C(=O)CC)(c1ccccc1)c1ccccc1)N(C)C
Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223635
PNG
(CHEMBL355396)
Show SMILES CCC(O)C(CC(C)N(C)CC1CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H33NO/c1-4-23(26)24(21-11-7-5-8-12-21,22-13-9-6-10-14-22)17-19(2)25(3)18-20-15-16-20/h5-14,19-20,23,26H,4,15-18H2,1-3H3
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223634
PNG
(CHEMBL1325)
Show SMILES CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3/t17-,20-/m0/s1
PDB
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PC cid
PC sid
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6.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223636
PNG
(CHEMBL173964)
Show SMILES CCC(OC(C)=O)C(CC(C)N(C)CC=C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-6-18-26(5)20(3)19-25(22-14-10-8-11-15-22,23-16-12-9-13-17-23)24(7-2)28-21(4)27/h6,8-17,20,24H,1,7,18-19H2,2-5H3
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone Opioid receptors binding using rat brain membrane in the presence of 100 mM Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223638
PNG
(CHEMBL367330)
Show SMILES CCC(OC(C)=O)C(CC(C)N(C)CC1CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H35NO2/c1-5-25(29-21(3)28)26(23-12-8-6-9-13-23,24-14-10-7-11-15-24)18-20(2)27(4)19-22-16-17-22/h6-15,20,22,25H,5,16-19H2,1-4H3
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na


J Med Chem 24: 903-6 (1981)


BindingDB Entry DOI: 10.7270/Q26W9D8D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%