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PubMed code 10673103

Compile data set for download or QSAR
Found 55 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


(Homo sapiens (Human))
BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451124
PNG
(CHEMBL2114981)
Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451118
PNG
(CHEMBL2114978)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O4/c1-15-9-22(31)10-16(2)23(15)13-24(29)26(32)30-14-20-11-18(17-5-7-21(28)8-6-17)3-4-19(20)12-25(30)27(33)34/h3-11,24-25,31H,12-14,29H2,1-2H3,(H,33,34)/t24-,25-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084988
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25?,26-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451126
PNG
(CHEMBL2114977)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25-,26-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084991
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19?,20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451125
PNG
(CHEMBL2114982)
Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19-,20-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451123
PNG
(CHEMBL2114980)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084989
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccsc1
Show InChI InChI=1S/C25H26N2O4S/c1-14-7-20(28)8-15(2)21(14)11-22(26)24(29)27-12-19-9-16(18-5-6-32-13-18)3-4-17(19)10-23(27)25(30)31/h3-9,13,22-23,28H,10-12,26H2,1-2H3,(H,30,31)/t22?,23-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084993
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H28N2O5/c1-16-9-22(32)10-17(2)23(16)14-24(30)28(33)31-15-21-11-20(8-7-18(21)12-25(31)29(34)35)27-13-19-5-3-4-6-26(19)36-27/h3-11,13,24-25,32H,12,14-15,30H2,1-2H3,(H,34,35)/t24?,25-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451119
PNG
(CHEMBL2115427)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O4/c1-15-9-22(31)10-16(2)23(15)13-24(29)26(32)30-14-20-11-18(17-5-7-21(28)8-6-17)3-4-19(20)12-25(30)27(33)34/h3-11,24-25,31H,12-14,29H2,1-2H3,(H,33,34)/t24-,25+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451121
PNG
(CHEMBL2115429)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25+/m1/s1
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n/an/a 122n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084989
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccsc1
Show InChI InChI=1S/C25H26N2O4S/c1-14-7-20(28)8-15(2)21(14)11-22(26)24(29)27-12-19-9-16(18-5-6-32-13-18)3-4-17(19)10-23(27)25(30)31/h3-9,13,22-23,28H,10-12,26H2,1-2H3,(H,30,31)/t22?,23-/m0/s1
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n/an/a 142n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084995
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-11-5-16(25)6-12(2)17(11)9-18(22)20(26)23-10-14-7-15(24)4-3-13(14)8-19(23)21(27)28/h3-7,18-19,24-25H,8-10,22H2,1-2H3,(H,27,28)/t18?,19-/m0/s1
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n/an/a 236n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451122
PNG
(CHEMBL2115430)
Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18+/m1/s1
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n/an/a 571n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451118
PNG
(CHEMBL2114978)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O4/c1-15-9-22(31)10-16(2)23(15)13-24(29)26(32)30-14-20-11-18(17-5-7-21(28)8-6-17)3-4-19(20)12-25(30)27(33)34/h3-11,24-25,31H,12-14,29H2,1-2H3,(H,33,34)/t24-,25-/m0/s1
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n/an/a 587n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451123
PNG
(CHEMBL2114980)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25-/m0/s1
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n/an/a 635n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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n/an/a 894n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451127
PNG
(CHEMBL2114986)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2c(C[C@H]1C(O)=O)cc(Br)c(O)c2Br
Show InChI InChI=1S/C21H22Br2N2O5/c1-9-3-12(26)4-10(2)13(9)7-16(24)20(28)25-8-14-11(6-17(25)21(29)30)5-15(22)19(27)18(14)23/h3-5,16-17,26-27H,6-8,24H2,1-2H3,(H,29,30)/t16-,17-/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451126
PNG
(CHEMBL2114977)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25-,26-/m0/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084990
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C28H29FN2O5/c1-15-8-21(32)9-16(2)22(15)13-24(30)27(33)31-14-19-12-26(36-3)23(17-4-6-20(29)7-5-17)10-18(19)11-25(31)28(34)35/h4-10,12,24-25,32H,11,13-14,30H2,1-3H3,(H,34,35)/t24?,25-/m0/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451127
PNG
(CHEMBL2114986)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2c(C[C@H]1C(O)=O)cc(Br)c(O)c2Br
Show InChI InChI=1S/C21H22Br2N2O5/c1-9-3-12(26)4-10(2)13(9)7-16(24)20(28)25-8-14-11(6-17(25)21(29)30)5-15(22)19(27)18(14)23/h3-5,16-17,26-27H,6-8,24H2,1-2H3,(H,29,30)/t16-,17-/m0/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084983
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1cc2C[C@H](N(Cc2cc1OC)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C29H32N2O6/c1-16-9-21(32)10-17(2)23(16)14-25(30)28(33)31-15-20-13-27(37-4)24(11-19(20)12-26(31)29(34)35)18-5-7-22(36-3)8-6-18/h5-11,13,25-26,32H,12,14-15,30H2,1-4H3,(H,34,35)/t25?,26-/m0/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451124
PNG
(CHEMBL2114981)
Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18-/m0/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451121
PNG
(CHEMBL2115429)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25+/m1/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084995
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-11-5-16(25)6-12(2)17(11)9-18(22)20(26)23-10-14-7-15(24)4-3-13(14)8-19(23)21(27)28/h3-7,18-19,24-25H,8-10,22H2,1-2H3,(H,27,28)/t18?,19-/m0/s1
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n/an/a 2.16E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084991
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19?,20-/m0/s1
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n/an/a 2.28E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084993
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H28N2O5/c1-16-9-22(32)10-17(2)23(16)14-24(30)28(33)31-15-21-11-20(8-7-18(21)12-25(31)29(34)35)27-13-19-5-3-4-6-26(19)36-27/h3-11,13,24-25,32H,12,14-15,30H2,1-2H3,(H,34,35)/t24?,25-/m0/s1
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n/an/a 2.44E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084994
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C28H30N2O5/c1-16-9-21(31)10-17(2)22(16)14-24(29)27(32)30-15-20-13-26(35-3)23(18-7-5-4-6-8-18)11-19(20)12-25(30)28(33)34/h4-11,13,24-25,31H,12,14-15,29H2,1-3H3,(H,33,34)/t24?,25-/m0/s1
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n/an/a 2.54E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084988
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25?,26-/m0/s1
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n/an/a 2.65E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084989
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccsc1
Show InChI InChI=1S/C25H26N2O4S/c1-14-7-20(28)8-15(2)21(14)11-22(26)24(29)27-12-19-9-16(18-5-6-32-13-18)3-4-17(19)10-23(27)25(30)31/h3-9,13,22-23,28H,10-12,26H2,1-2H3,(H,30,31)/t22?,23-/m0/s1
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n/an/a 2.73E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451125
PNG
(CHEMBL2114982)
Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19-,20-/m0/s1
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n/an/a 2.87E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084983
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1cc2C[C@H](N(Cc2cc1OC)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C29H32N2O6/c1-16-9-21(32)10-17(2)23(16)14-25(30)28(33)31-15-20-13-27(37-4)24(11-19(20)12-26(31)29(34)35)18-5-7-22(36-3)8-6-18/h5-11,13,25-26,32H,12,14-15,30H2,1-4H3,(H,34,35)/t25?,26-/m0/s1
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n/an/a 4.64E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451123
PNG
(CHEMBL2114980)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25-/m0/s1
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n/an/a 5.74E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084990
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C28H29FN2O5/c1-15-8-21(32)9-16(2)22(15)13-24(30)27(33)31-14-19-12-26(36-3)23(17-4-6-20(29)7-5-17)10-18(19)11-25(31)28(34)35/h4-10,12,24-25,32H,11,13-14,30H2,1-3H3,(H,34,35)/t24?,25-/m0/s1
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n/an/a 7.22E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451118
PNG
(CHEMBL2114978)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O4/c1-15-9-22(31)10-16(2)23(15)13-24(29)26(32)30-14-20-11-18(17-5-7-21(28)8-6-17)3-4-19(20)12-25(30)27(33)34/h3-11,24-25,31H,12-14,29H2,1-2H3,(H,33,34)/t24-,25-/m0/s1
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n/an/a 7.56E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451120
PNG
(CHEMBL2115434)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2c(C[C@H]1C(O)=O)cc(Br)c(O)c2Br
Show InChI InChI=1S/C21H22Br2N2O5/c1-9-3-12(26)4-10(2)13(9)7-16(24)20(28)25-8-14-11(6-17(25)21(29)30)5-15(22)19(27)18(14)23/h3-5,16-17,26-27H,6-8,24H2,1-2H3,(H,29,30)/t16-,17+/m1/s1
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n/an/a 8.13E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451122
PNG
(CHEMBL2115430)
Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18+/m1/s1
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n/an/a 8.24E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084991
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19?,20-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084995
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-11-5-16(25)6-12(2)17(11)9-18(22)20(26)23-10-14-7-15(24)4-3-13(14)8-19(23)21(27)28/h3-7,18-19,24-25H,8-10,22H2,1-2H3,(H,27,28)/t18?,19-/m0/s1
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n/an/a 9.29E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451125
PNG
(CHEMBL2114982)
Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19-,20-/m0/s1
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n/an/a 9.44E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084994
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C28H30N2O5/c1-16-9-21(31)10-17(2)22(16)14-24(29)27(32)30-15-20-13-26(35-3)23(18-7-5-4-6-8-18)11-19(20)12-25(30)28(33)34/h4-11,13,24-25,31H,12,14-15,29H2,1-3H3,(H,33,34)/t24?,25-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084988
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25?,26-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451126
PNG
(CHEMBL2114977)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25-,26-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084993
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H28N2O5/c1-16-9-22(32)10-17(2)23(16)14-24(30)28(33)31-15-21-11-20(8-7-18(21)12-25(31)29(34)35)27-13-19-5-3-4-6-26(19)36-27/h3-11,13,24-25,32H,12,14-15,30H2,1-2H3,(H,34,35)/t24?,25-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084990
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C28H29FN2O5/c1-15-8-21(32)9-16(2)22(15)13-24(30)27(33)31-14-19-12-26(36-3)23(17-4-6-20(29)7-5-17)10-18(19)11-25(31)28(34)35/h4-10,12,24-25,32H,11,13-14,30H2,1-3H3,(H,34,35)/t24?,25-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084994
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C28H30N2O5/c1-16-9-21(31)10-17(2)22(16)14-24(29)27(32)30-15-20-13-26(35-3)23(18-7-5-4-6-8-18)11-19(20)12-25(30)28(33)34/h4-11,13,24-25,31H,12,14-15,29H2,1-3H3,(H,33,34)/t24?,25-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451119
PNG
(CHEMBL2115427)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O4/c1-15-9-22(31)10-16(2)23(15)13-24(29)26(32)30-14-20-11-18(17-5-7-21(28)8-6-17)3-4-19(20)12-25(30)27(33)34/h3-11,24-25,31H,12-14,29H2,1-2H3,(H,33,34)/t24-,25+/m1/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451127
PNG
(CHEMBL2114986)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2c(C[C@H]1C(O)=O)cc(Br)c(O)c2Br
Show InChI InChI=1S/C21H22Br2N2O5/c1-9-3-12(26)4-10(2)13(9)7-16(24)20(28)25-8-14-11(6-17(25)21(29)30)5-15(22)19(27)18(14)23/h3-5,16-17,26-27H,6-8,24H2,1-2H3,(H,29,30)/t16-,17-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50084983
PNG
((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES COc1ccc(cc1)-c1cc2C[C@H](N(Cc2cc1OC)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C29H32N2O6/c1-16-9-21(32)10-17(2)23(16)14-25(30)28(33)31-15-20-13-27(37-4)24(11-19(20)12-26(31)29(34)35)18-5-7-22(36-3)8-6-18/h5-11,13,25-26,32H,12,14-15,30H2,1-4H3,(H,34,35)/t25?,26-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451124
PNG
(CHEMBL2114981)
Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451120
PNG
(CHEMBL2115434)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2c(C[C@H]1C(O)=O)cc(Br)c(O)c2Br
Show InChI InChI=1S/C21H22Br2N2O5/c1-9-3-12(26)4-10(2)13(9)7-16(24)20(28)25-8-14-11(6-17(25)21(29)30)5-15(22)19(27)18(14)23/h3-5,16-17,26-27H,6-8,24H2,1-2H3,(H,29,30)/t16-,17+/m1/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451121
PNG
(CHEMBL2115429)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25+/m1/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50299565
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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n/an/a 3.75E+4n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)

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


(Homo sapiens (Human))
BDBM50451124
PNG
(CHEMBL2114981)
Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18-/m0/s1
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AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Effective concentration for agonistic activity towards delta opioid receptor was determined by [35S]GTP-gamma-S functional assay


Bioorg Med Chem Lett 10: 167-70 (2000)

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