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PubMed code 11755353

Compile data set for download or QSAR
Found 61 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108452
PNG
(3-(5-Chloro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...)
Show SMILES COc1ccc(Cl)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25ClN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108437
PNG
(3-(3-Nitro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-e...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23N3O3/c27-23-21(19-10-6-11-20(16-19)26(28)29)12-7-15-25(23)22(17-24-13-4-5-14-24)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2
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n/an/a 2.20n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108436
PNG
(3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Clc1ccc(cc1Cl)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H22Cl2N2O/c24-20-11-10-18(15-21(20)25)19-9-6-14-27(23(19)28)22(16-26-12-4-5-13-26)17-7-2-1-3-8-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108450
PNG
(3-(3-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Clc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23ClN2O/c24-20-11-6-10-19(16-20)21-12-7-15-26(23(21)27)22(17-25-13-4-5-14-25)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108447
PNG
(3-(5-Fluoro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...)
Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25FN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108432
PNG
(3-(2,5-Dimethoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-...)
Show SMILES COc1ccc(OC)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C25H28N2O3/c1-29-20-12-13-24(30-2)22(17-20)21-11-8-16-27(25(21)28)23(18-26-14-6-7-15-26)19-9-4-3-5-10-19/h3-5,8-13,16-17,23H,6-7,14-15,18H2,1-2H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108434
PNG
(3-[2-Oxo-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,2-...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H23N3O/c25-17-19-8-6-11-21(16-19)22-12-7-15-27(24(22)28)23(18-26-13-4-5-14-26)20-9-2-1-3-10-20/h1-3,6-12,15-16,23H,4-5,13-14,18H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108433
PNG
(3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Clc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23ClN2O/c24-20-12-10-18(11-13-20)21-9-6-16-26(23(21)27)22(17-25-14-4-5-15-25)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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n/an/a 5.5n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108435
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(2-trifluor...)
Show SMILES FC(F)(F)c1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)21-13-5-4-11-19(21)20-12-8-16-29(23(20)30)22(17-28-14-6-7-15-28)18-9-2-1-3-10-18/h1-5,8-13,16,22H,6-7,14-15,17H2
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n/an/a 5.70n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108448
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108440
PNG
(3-(2-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl...)
Show SMILES COc1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O2/c1-28-23-14-6-5-12-20(23)21-13-9-17-26(24(21)27)22(18-25-15-7-8-16-25)19-10-3-2-4-11-19/h2-6,9-14,17,22H,7-8,15-16,18H2,1H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108443
PNG
(3-(2,5-Difluoro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Fc1ccc(F)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H22F2N2O/c24-18-10-11-21(25)20(15-18)19-9-6-14-27(23(19)28)22(16-26-12-4-5-13-26)17-7-2-1-3-8-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108442
PNG
(3-Naphthalen-2-yl-1-(1-phenyl-2-pyrrolidin-1-yl-et...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H26N2O/c30-27-25(24-15-14-21-9-4-5-12-23(21)19-24)13-8-18-29(27)26(20-28-16-6-7-17-28)22-10-2-1-3-11-22/h1-5,8-15,18-19,26H,6-7,16-17,20H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108444
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O2/c25-24(26,27)31-20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108438
PNG
(3-(4-Fluoro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Fc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23FN2O/c24-20-12-10-18(11-13-20)21-9-6-16-26(23(21)27)22(17-25-14-4-5-15-25)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108446
PNG
(3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl...)
Show SMILES COc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O2/c1-28-21-13-11-19(12-14-21)22-10-7-17-26(24(22)27)23(18-25-15-5-6-16-25)20-8-3-2-4-9-20/h2-4,7-14,17,23H,5-6,15-16,18H2,1H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108441
PNG
(3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-p...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108439
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-m-tolyl-1H-...)
Show SMILES Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O/c1-19-9-7-12-21(17-19)22-13-8-16-26(24(22)27)23(18-25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7-13,16-17,23H,5-6,14-15,18H2,1H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108449
PNG
(3-Benzofuran-2-yl-1-(1-phenyl-2-pyrrolidin-1-yl-et...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C25H24N2O2/c28-25-21(24-17-20-11-4-5-13-23(20)29-24)12-8-16-27(25)22(18-26-14-6-7-15-26)19-9-2-1-3-10-19/h1-5,8-13,16-17,22H,6-7,14-15,18H2
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n/an/a 271n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108450
PNG
(3-(3-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Clc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23ClN2O/c24-20-11-6-10-19(16-20)21-12-7-15-26(23(21)27)22(17-25-13-4-5-14-25)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2
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n/an/a 308n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108445
PNG
(5-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Clc1ccc(cc1)-c1ccc(=O)n(c1)C(CN1CCCC1)c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c24-21-11-8-18(9-12-21)20-10-13-23(27)26(16-20)22(17-25-14-4-5-15-25)19-6-2-1-3-7-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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n/an/a 524n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108439
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-m-tolyl-1H-...)
Show SMILES Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O/c1-19-9-7-12-21(17-19)22-13-8-16-26(24(22)27)23(18-25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7-13,16-17,23H,5-6,14-15,18H2,1H3
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n/an/a 639n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108444
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O2/c25-24(26,27)31-20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108451
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-thiophen-2-...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C21H22N2OS/c24-21-18(20-11-7-15-25-20)10-6-14-23(21)19(16-22-12-4-5-13-22)17-8-2-1-3-9-17/h1-3,6-11,14-15,19H,4-5,12-13,16H2
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n/an/a 1.18E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108440
PNG
(3-(2-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl...)
Show SMILES COc1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O2/c1-28-23-14-6-5-12-20(23)21-13-9-17-26(24(21)27)22(18-25-15-7-8-16-25)19-10-3-2-4-11-19/h2-6,9-14,17,22H,7-8,15-16,18H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108452
PNG
(3-(5-Chloro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...)
Show SMILES COc1ccc(Cl)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25ClN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3
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n/an/a 1.24E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108446
PNG
(3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl...)
Show SMILES COc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O2/c1-28-21-13-11-19(12-14-21)22-10-7-17-26(24(22)27)23(18-25-15-5-6-16-25)20-8-3-2-4-9-20/h2-4,7-14,17,23H,5-6,15-16,18H2,1H3
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n/an/a 1.46E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108453
PNG
(5-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(=O)n(c1)C(CN1CCCC1)c1ccccc1
Show InChI InChI=1S/C23H22Cl2N2O/c24-20-10-8-18(14-21(20)25)19-9-11-23(28)27(15-19)22(16-26-12-4-5-13-26)17-6-2-1-3-7-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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n/an/a 1.49E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108435
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(2-trifluor...)
Show SMILES FC(F)(F)c1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)21-13-5-4-11-19(21)20-12-8-16-29(23(20)30)22(17-28-14-6-7-15-28)18-9-2-1-3-10-18/h1-5,8-13,16,22H,6-7,14-15,17H2
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n/an/a 1.68E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108436
PNG
(3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Clc1ccc(cc1Cl)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H22Cl2N2O/c24-20-11-10-18(15-21(20)25)19-9-6-14-27(23(19)28)22(16-26-12-4-5-13-26)17-7-2-1-3-8-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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n/an/a 2.06E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108442
PNG
(3-Naphthalen-2-yl-1-(1-phenyl-2-pyrrolidin-1-yl-et...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H26N2O/c30-27-25(24-15-14-21-9-4-5-12-23(21)19-24)13-8-18-29(27)26(20-28-16-6-7-17-28)22-10-2-1-3-11-22/h1-5,8-15,18-19,26H,6-7,16-17,20H2
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n/an/a 2.68E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108448
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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n/an/a 2.72E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108447
PNG
(3-(5-Fluoro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...)
Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25FN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3
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n/an/a 3.46E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108437
PNG
(3-(3-Nitro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-e...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23N3O3/c27-23-21(19-10-6-11-20(16-19)26(28)29)12-7-15-25(23)22(17-24-13-4-5-14-24)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2
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n/an/a 3.91E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108452
PNG
(3-(5-Chloro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...)
Show SMILES COc1ccc(Cl)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25ClN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3
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n/an/a 4.17E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108434
PNG
(3-[2-Oxo-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,2-...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H23N3O/c25-17-19-8-6-11-21(16-19)22-12-7-15-27(24(22)28)23(18-26-13-4-5-14-26)20-9-2-1-3-10-20/h1-3,6-12,15-16,23H,4-5,13-14,18H2
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n/an/a 4.28E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108447
PNG
(3-(5-Fluoro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrol...)
Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25FN2O2/c1-29-23-12-11-19(25)16-21(23)20-10-7-15-27(24(20)28)22(17-26-13-5-6-14-26)18-8-3-2-4-9-18/h2-4,7-12,15-16,22H,5-6,13-14,17H2,1H3
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n/an/a 4.35E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108433
PNG
(3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Clc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23ClN2O/c24-20-12-10-18(11-13-20)21-9-6-16-26(23(21)27)22(17-25-14-4-5-15-25)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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n/an/a 4.84E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108432
PNG
(3-(2,5-Dimethoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-...)
Show SMILES COc1ccc(OC)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C25H28N2O3/c1-29-20-12-13-24(30-2)22(17-20)21-11-8-16-27(25(21)28)23(18-26-14-6-7-15-26)19-9-4-3-5-10-19/h3-5,8-13,16-17,23H,6-7,14-15,18H2,1-2H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108446
PNG
(3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl...)
Show SMILES COc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O2/c1-28-21-13-11-19(12-14-21)22-10-7-17-26(24(22)27)23(18-25-15-5-6-16-25)20-8-3-2-4-9-20/h2-4,7-14,17,23H,5-6,15-16,18H2,1H3
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n/an/a 5.21E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/a 5.84E+3n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by the displacement of [125I]Enkephalin; Not determined


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108438
PNG
(3-(4-Fluoro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Fc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23FN2O/c24-20-12-10-18(11-13-20)21-9-6-16-26(23(21)27)22(17-25-14-4-5-15-25)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108433
PNG
(3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Clc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23ClN2O/c24-20-12-10-18(11-13-20)21-9-6-16-26(23(21)27)22(17-25-14-4-5-15-25)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108441
PNG
(3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-p...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108432
PNG
(3-(2,5-Dimethoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-...)
Show SMILES COc1ccc(OC)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C25H28N2O3/c1-29-20-12-13-24(30-2)22(17-20)21-11-8-16-27(25(21)28)23(18-26-14-6-7-15-26)19-9-4-3-5-10-19/h3-5,8-13,16-17,23H,6-7,14-15,18H2,1-2H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108443
PNG
(3-(2,5-Difluoro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Fc1ccc(F)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H22F2N2O/c24-18-10-11-21(25)20(15-18)19-9-6-14-27(23(19)28)22(16-26-12-4-5-13-26)17-7-2-1-3-8-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108448
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108443
PNG
(3-(2,5-Difluoro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Fc1ccc(F)c(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H22F2N2O/c24-18-10-11-21(25)20(15-18)19-9-6-14-27(23(19)28)22(16-26-12-4-5-13-26)17-7-2-1-3-8-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108435
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(2-trifluor...)
Show SMILES FC(F)(F)c1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)21-13-5-4-11-19(21)20-12-8-16-29(23(20)30)22(17-28-14-6-7-15-28)18-9-2-1-3-10-18/h1-5,8-13,16,22H,6-7,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108438
PNG
(3-(4-Fluoro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Fc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23FN2O/c24-20-12-10-18(11-13-20)21-9-6-16-26(23(21)27)22(17-25-14-4-5-15-25)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108441
PNG
(3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-p...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108437
PNG
(3-(3-Nitro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-e...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23N3O3/c27-23-21(19-10-6-11-20(16-19)26(28)29)12-7-15-25(23)22(17-24-13-4-5-14-24)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108434
PNG
(3-[2-Oxo-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,2-...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H23N3O/c25-17-19-8-6-11-21(16-19)22-12-7-15-27(24(22)28)23(18-26-13-4-5-14-26)20-9-2-1-3-10-20/h1-3,6-12,15-16,23H,4-5,13-14,18H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108436
PNG
(3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Clc1ccc(cc1Cl)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H22Cl2N2O/c24-20-11-10-18(15-21(20)25)19-9-6-14-27(23(19)28)22(16-26-12-4-5-13-26)17-7-2-1-3-8-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108439
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-m-tolyl-1H-...)
Show SMILES Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O/c1-19-9-7-12-21(17-19)22-13-8-16-26(24(22)27)23(18-25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7-13,16-17,23H,5-6,14-15,18H2,1H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108450
PNG
(3-(3-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)
Show SMILES Clc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H23ClN2O/c24-20-11-6-10-19(16-20)21-12-7-15-26(23(21)27)22(17-25-13-4-5-14-25)18-8-2-1-3-9-18/h1-3,6-12,15-16,22H,4-5,13-14,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108442
PNG
(3-Naphthalen-2-yl-1-(1-phenyl-2-pyrrolidin-1-yl-et...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C27H26N2O/c30-27-25(24-15-14-21-9-4-5-12-23(21)19-24)13-8-18-29(27)26(20-28-16-6-7-17-28)22-10-2-1-3-11-22/h1-5,8-15,18-19,26H,6-7,16-17,20H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108440
PNG
(3-(2-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl...)
Show SMILES COc1ccccc1-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O2/c1-28-23-14-6-5-12-20(23)21-13-9-17-26(24(21)27)22(18-25-15-7-8-16-25)19-10-3-2-4-11-19/h2-6,9-14,17,22H,7-8,15-16,18H2,1H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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


(Homo sapiens (Human))
BDBM50108444
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O2/c25-24(26,27)31-20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin


Bioorg Med Chem Lett 12: 197-200 (2001)

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