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6 similar compounds to monomer 50101612

Compile data set for download or QSAR
Wt: 382.4
BDBM50083161
Wt: 394.5
BDBM50101616
Wt: 396.4
BDBM50101618
Wt: 354.4
BDBM50101621
Wt: 368.4
BDBM50101622
Wt: 354.4
BDBM50240679

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50083161,50101616,50101618,50101621,50101622,50240679   
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
Opioid receptor


(MOUSE)
BDBM50240679
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17?,20-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibitory concentration against Opioid receptor delta 1 in mouse vas deferens using competition binding assay


Bioorg Med Chem Lett 10: 2745-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50240679
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17?,20-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083161
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H26N2O4/c1-13-8-17(25)9-14(2)18(13)11-19(23)21(26)24-12-16-7-5-4-6-15(16)10-20(24)22(27)28-3/h4-9,19-20,25H,10-12,23H2,1-3H3/t19-,20-/m0/s1
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9.64n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50240679
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17?,20-/m0/s1
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151n/an/an/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of guinea pig ileum Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2745-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50240679
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17?,20-/m0/s1
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151n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity for rat brain P2 synaptosome Opioid receptor mu 1


J Med Chem 45: 713-20 (2002)


Article DOI: 10.1021/jm010449i
BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50083161
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H26N2O4/c1-13-8-17(25)9-14(2)18(13)11-19(23)21(26)24-12-16-7-5-4-6-15(16)10-20(24)22(27)28-3/h4-9,19-20,25H,10-12,23H2,1-3H3/t19-,20-/m0/s1
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423n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 from rat brain synaptosomal preparations by [3H]-DAGO displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083161
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H26N2O4/c1-13-8-17(25)9-14(2)18(13)11-19(23)21(26)24-12-16-7-5-4-6-15(16)10-20(24)22(27)28-3/h4-9,19-20,25H,10-12,23H2,1-3H3/t19-,20-/m0/s1
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500n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50101621
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101618
PNG
(Acetic acid 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H28N2O4/c1-14-8-20(27)9-15(2)21(14)11-22(24)23(28)25-12-18-7-5-4-6-17(18)10-19(25)13-29-16(3)26/h4-9,19,22,27H,10-13,24H2,1-3H3/t19-,22-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101616
PNG
(1-(3-Allyloxymethyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C
Show InChI InChI=1S/C24H30N2O3/c1-4-9-29-15-20-12-18-7-5-6-8-19(18)14-26(20)24(28)23(25)13-22-16(2)10-21(27)11-17(22)3/h4-8,10-11,20,23,27H,1,9,12-15,25H2,2-3H3/t20-,23-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50101618
PNG
(Acetic acid 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H28N2O4/c1-14-8-20(27)9-15(2)21(14)11-22(24)23(28)25-12-18-7-5-4-6-17(18)10-19(25)13-29-16(3)26/h4-9,19,22,27H,10-13,24H2,1-3H3/t19-,22-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50240679
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17?,20-/m0/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at Opioid receptor mu 1 was determined in guinea pig ileum


Bioorg Med Chem Lett 10: 2745-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101622
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H28N2O3/c1-14-8-19(25)9-15(2)20(14)11-21(23)22(26)24-12-17-7-5-4-6-16(17)10-18(24)13-27-3/h4-9,18,21,25H,10-13,23H2,1-3H3/t18-,21-/m0/s1
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n/an/a 458n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50101622
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H28N2O3/c1-14-8-19(25)9-15(2)20(14)11-21(23)22(26)24-12-17-7-5-4-6-16(17)10-18(24)13-27-3/h4-9,18,21,25H,10-13,23H2,1-3H3/t18-,21-/m0/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50101621
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/a 421n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50101616
PNG
(1-(3-Allyloxymethyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C
Show InChI InChI=1S/C24H30N2O3/c1-4-9-29-15-20-12-18-7-5-6-8-19(18)14-26(20)24(28)23(25)13-22-16(2)10-21(27)11-17(22)3/h4-8,10-11,20,23,27H,1,9,12-15,25H2,2-3H3/t20-,23-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101618
PNG
(Acetic acid 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H28N2O4/c1-14-8-20(27)9-15(2)21(14)11-22(24)23(28)25-12-18-7-5-4-6-17(18)10-19(25)13-29-16(3)26/h4-9,19,22,27H,10-13,24H2,1-3H3/t19-,22-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101616
PNG
(1-(3-Allyloxymethyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCC=C
Show InChI InChI=1S/C24H30N2O3/c1-4-9-29-15-20-12-18-7-5-6-8-19(18)14-26(20)24(28)23(25)13-22-16(2)10-21(27)11-17(22)3/h4-8,10-11,20,23,27H,1,9,12-15,25H2,2-3H3/t20-,23-/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101621
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17-,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101622
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-met...)
Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C22H28N2O3/c1-14-8-19(25)9-15(2)20(14)11-21(23)22(26)24-12-17-7-5-4-6-16(17)10-18(24)13-27-3/h4-9,18,21,25H,10-13,23H2,1-3H3/t18-,21-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


Article DOI: 10.1021/jm015532k
BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair