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PubMed code 12699761

Compile data set for download or QSAR
Found 85 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127350
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C31H37N5O3S/c1-39-29-17-28(37)14-13-24(29)20-35-15-7-12-26(35)18-33-31(40)36-21-23-9-6-5-8-22(23)16-27(36)19-32-30(38)34-25-10-3-2-4-11-25/h2-6,8-11,13-14,17,26-27,37H,7,12,15-16,18-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50101623
PNG
((4-Hydroxy-2,6-dimethyl-phenyl)-[(1,2,3,4-tetrahyd...)
Show SMILES Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-11-7-15(23)8-12(2)17(11)18(20(25)26)22-19(24)16-9-13-5-3-4-6-14(13)10-21-16/h3-8,16,18,21,23H,9-10H2,1-2H3,(H,22,24)(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127336
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC
Show InChI InChI=1S/C32H39N5O3S/c1-39-29-16-8-12-25(30(29)40-2)21-36-17-9-15-27(36)19-34-32(41)37-22-24-11-7-6-10-23(24)18-28(37)20-33-31(38)35-26-13-4-3-5-14-26/h3-8,10-14,16,27-28H,9,15,17-22H2,1-2H3,(H,34,41)(H2,33,35,38)/t27-,28+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127353
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Oc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C30H35N5O2S/c36-28-14-6-8-22(16-28)20-34-15-7-13-26(34)18-32-30(38)35-21-24-10-5-4-9-23(24)17-27(35)19-31-29(37)33-25-11-2-1-3-12-25/h1-6,8-12,14,16,26-27,36H,7,13,15,17-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1
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5.20n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127337
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Oc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C30H35N5O2S/c36-28-14-12-22(13-15-28)20-34-16-6-11-26(34)18-32-30(38)35-21-24-8-5-4-7-23(24)17-27(35)19-31-29(37)33-25-9-2-1-3-10-25/h1-5,7-10,12-15,26-27,36H,6,11,16-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1
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6n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127362
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O
Show InChI InChI=1S/C31H37N5O3S/c1-39-28-15-7-11-24(29(28)37)20-35-16-8-14-26(35)18-33-31(40)36-21-23-10-6-5-9-22(23)17-27(36)19-32-30(38)34-25-12-3-2-4-13-25/h2-7,9-13,15,26-27,37H,8,14,16-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1
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6.80n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127354
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C31H37N5O2S/c1-38-29-16-8-7-12-25(29)21-35-17-9-15-27(35)19-33-31(39)36-22-24-11-6-5-10-23(24)18-28(36)20-32-30(37)34-26-13-3-2-4-14-26/h2-8,10-14,16,27-28H,9,15,17-22H2,1H3,(H,33,39)(H2,32,34,37)/t27-,28+/m1/s1
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8.80n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127360
PNG
(CHEMBL290919 | N-(4-{(R)-2-[({(S)-3-[(3-Phenyl-ure...)
Show SMILES CC(=O)Nc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C32H38N6O2S/c1-23(39)35-28-15-13-24(14-16-28)21-37-17-7-12-29(37)19-34-32(41)38-22-26-9-6-5-8-25(26)18-30(38)20-33-31(40)36-27-10-3-2-4-11-27/h2-6,8-11,13-16,29-30H,7,12,17-22H2,1H3,(H,34,41)(H,35,39)(H2,33,36,40)/t29-,30+/m1/s1
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10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127366
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Oc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C30H35N5O2S/c36-28-15-7-6-11-24(28)20-34-16-8-14-26(34)18-32-30(38)35-21-23-10-5-4-9-22(23)17-27(35)19-31-29(37)33-25-12-2-1-3-13-25/h1-7,9-13,15,26-27,36H,8,14,16-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1
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12n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127368
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1C#N)Nc1ccccc1
Show InChI InChI=1S/C31H34N6OS/c32-18-24-10-5-7-11-25(24)21-36-16-8-15-28(36)19-34-31(39)37-22-26-12-6-4-9-23(26)17-29(37)20-33-30(38)35-27-13-2-1-3-14-27/h1-7,9-14,28-29H,8,15-17,19-22H2,(H,34,39)(H2,33,35,38)/t28-,29+/m1/s1
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15n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127364
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1O
Show InChI InChI=1S/C31H37N5O3S/c1-39-29-14-13-22(16-28(29)37)20-35-15-7-12-26(35)18-33-31(40)36-21-24-9-6-5-8-23(24)17-27(36)19-32-30(38)34-25-10-3-2-4-11-25/h2-6,8-11,13-14,16,26-27,37H,7,12,15,17-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1
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18n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127342
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Oc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1O
Show InChI InChI=1S/C30H35N5O3S/c36-27-13-12-21(15-28(27)37)19-34-14-6-11-25(34)17-32-30(39)35-20-23-8-5-4-7-22(23)16-26(35)18-31-29(38)33-24-9-2-1-3-10-24/h1-5,7-10,12-13,15,25-26,36-37H,6,11,14,16-20H2,(H,32,39)(H2,31,33,38)/t25-,26+/m1/s1
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21n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127365
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccoc1)Nc1ccccc1
Show InChI InChI=1S/C28H33N5O2S/c34-27(31-24-9-2-1-3-10-24)29-17-26-15-22-7-4-5-8-23(22)19-33(26)28(36)30-16-25-11-6-13-32(25)18-21-12-14-35-20-21/h1-5,7-10,12,14,20,25-26H,6,11,13,15-19H2,(H,30,36)(H2,29,31,34)/t25-,26+/m1/s1
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23n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127370
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C31H37N5O2S/c1-38-29-15-13-23(14-16-29)21-35-17-7-12-27(35)19-33-31(39)36-22-25-9-6-5-8-24(25)18-28(36)20-32-30(37)34-26-10-3-2-4-11-26/h2-6,8-11,13-16,27-28H,7,12,17-22H2,1H3,(H,33,39)(H2,32,34,37)/t27-,28+/m1/s1
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23n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127341
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C28H39N5OS/c1-28(2,3)31-26(34)29-18-25-16-22-12-7-8-13-23(22)20-33(25)27(35)30-17-24-14-9-15-32(24)19-21-10-5-4-6-11-21/h4-8,10-13,24-25H,9,14-20H2,1-3H3,(H,30,35)(H2,29,31,34)/t24-,25+/m1/s1
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23n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127363
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccsc1)Nc1ccccc1
Show InChI InChI=1S/C28H33N5OS2/c34-27(31-24-9-2-1-3-10-24)29-17-26-15-22-7-4-5-8-23(22)19-33(26)28(35)30-16-25-11-6-13-32(25)18-21-12-14-36-20-21/h1-5,7-10,12,14,20,25-26H,6,11,13,15-19H2,(H,30,35)(H2,29,31,34)/t25-,26+/m1/s1
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24n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127343
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Fc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C30H34FN5OS/c31-25-14-12-22(13-15-25)20-35-16-6-11-27(35)18-33-30(38)36-21-24-8-5-4-7-23(24)17-28(36)19-32-29(37)34-26-9-2-1-3-10-26/h1-5,7-10,12-15,27-28H,6,11,16-21H2,(H,33,38)(H2,32,34,37)/t27-,28+/m1/s1
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26n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127358
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C30H35N5OS/c36-29(33-26-14-5-2-6-15-26)31-20-28-18-24-12-7-8-13-25(24)22-35(28)30(37)32-19-27-16-9-17-34(27)21-23-10-3-1-4-11-23/h1-8,10-15,27-28H,9,16-22H2,(H,32,37)(H2,31,33,36)/t27-,28+/m1/s1
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31n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127346
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccn1)Nc1ccccc1
Show InChI InChI=1S/C29H34N6OS/c36-28(33-24-11-2-1-3-12-24)31-19-27-17-22-9-4-5-10-23(22)20-35(27)29(37)32-18-26-14-8-16-34(26)21-25-13-6-7-15-30-25/h1-7,9-13,15,26-27H,8,14,16-21H2,(H,32,37)(H2,31,33,36)/t26-,27+/m1/s1
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31n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127359
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc(cc1)C#N)Nc1ccccc1
Show InChI InChI=1S/C31H34N6OS/c32-18-23-12-14-24(15-13-23)21-36-16-6-11-28(36)19-34-31(39)37-22-26-8-5-4-7-25(26)17-29(37)20-33-30(38)35-27-9-2-1-3-10-27/h1-5,7-10,12-15,28-29H,6,11,16-17,19-22H2,(H,34,39)(H2,33,35,38)/t28-,29+/m1/s1
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34n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127357
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C31H37N5O2S/c1-38-29-15-7-9-23(17-29)21-35-16-8-14-27(35)19-33-31(39)36-22-25-11-6-5-10-24(25)18-28(36)20-32-30(37)34-26-12-3-2-4-13-26/h2-7,9-13,15,17,27-28H,8,14,16,18-22H2,1H3,(H,33,39)(H2,32,34,37)/t27-,28+/m1/s1
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34n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127345
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1
Show InChI InChI=1S/C23H29N5OS/c29-22(27-19-9-2-1-3-10-19)25-15-21-13-17-7-4-5-8-18(17)16-28(21)23(30)26-14-20-11-6-12-24-20/h1-5,7-10,20-21,24H,6,11-16H2,(H,26,30)(H2,25,27,29)/t20-,21+/m1/s1
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38n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127336
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC
Show InChI InChI=1S/C32H39N5O3S/c1-39-29-16-8-12-25(30(29)40-2)21-36-17-9-15-27(36)19-34-32(41)37-22-24-11-7-6-10-23(24)18-28(37)20-33-31(38)35-26-13-4-3-5-14-26/h3-8,10-14,16,27-28H,9,15,17-22H2,1-2H3,(H,34,41)(H2,33,35,38)/t27-,28+/m1/s1
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40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127369
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Fc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C30H34FN5OS/c31-28-15-7-6-11-24(28)20-35-16-8-14-26(35)18-33-30(38)36-21-23-10-5-4-9-22(23)17-27(36)19-32-29(37)34-25-12-2-1-3-13-25/h1-7,9-13,15,26-27H,8,14,16-21H2,(H,33,38)(H2,32,34,37)/t26-,27+/m1/s1
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41n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127356
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1cccc(c1)C#N)Nc1ccccc1
Show InChI InChI=1S/C31H34N6OS/c32-18-23-8-6-9-24(16-23)21-36-15-7-14-28(36)19-34-31(39)37-22-26-11-5-4-10-25(26)17-29(37)20-33-30(38)35-27-12-2-1-3-13-27/h1-6,8-13,16,28-29H,7,14-15,17,19-22H2,(H,34,39)(H2,33,35,38)/t28-,29+/m1/s1
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50n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127349
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18+/m0/s1
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53n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127367
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Fc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C30H34FN5OS/c31-25-11-6-8-22(16-25)20-35-15-7-14-27(35)18-33-30(38)36-21-24-10-5-4-9-23(24)17-28(36)19-32-29(37)34-26-12-2-1-3-13-26/h1-6,8-13,16,27-28H,7,14-15,17-21H2,(H,33,38)(H2,32,34,37)/t27-,28+/m1/s1
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56n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127348
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc2ccccc2c1)Nc1ccccc1
Show InChI InChI=1S/C34H37N5OS/c40-33(37-30-13-2-1-3-14-30)35-22-32-20-28-11-6-7-12-29(28)24-39(32)34(41)36-21-31-15-8-18-38(31)23-25-16-17-26-9-4-5-10-27(26)19-25/h1-7,9-14,16-17,19,31-32H,8,15,18,20-24H2,(H,36,41)(H2,35,37,40)/t31-,32+/m1/s1
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63n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127344
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1
Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1
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86n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127344
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1
Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1
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86n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127354
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C31H37N5O2S/c1-38-29-16-8-7-12-25(29)21-35-17-9-15-27(35)19-33-31(39)36-22-24-11-6-5-10-23(24)18-28(36)20-32-30(37)34-26-13-3-2-4-14-26/h2-8,10-14,16,27-28H,9,15,17-22H2,1H3,(H,33,39)(H2,32,34,37)/t27-,28+/m1/s1
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109n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127336
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC
Show InChI InChI=1S/C32H39N5O3S/c1-39-29-16-8-12-25(30(29)40-2)21-36-17-9-15-27(36)19-34-32(41)37-22-24-11-7-6-10-23(24)18-28(37)20-33-31(38)35-26-13-4-3-5-14-26/h3-8,10-14,16,27-28H,9,15,17-22H2,1-2H3,(H,34,41)(H2,33,35,38)/t27-,28+/m1/s1
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113n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127337
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Oc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C30H35N5O2S/c36-28-14-12-22(13-15-28)20-34-16-6-11-26(34)18-32-30(38)35-21-24-8-5-4-7-23(24)17-27(35)19-31-29(37)33-25-9-2-1-3-10-25/h1-5,7-10,12-15,26-27,36H,6,11,16-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1
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113n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127350
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C31H37N5O3S/c1-39-29-17-28(37)14-13-24(29)20-35-15-7-12-26(35)18-33-31(40)36-21-23-9-6-5-8-22(23)16-27(36)19-32-30(38)34-25-10-3-2-4-11-25/h2-6,8-11,13-14,17,26-27,37H,7,12,15-16,18-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1
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127n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127350
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cc(O)ccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C31H37N5O3S/c1-39-29-17-28(37)14-13-24(29)20-35-15-7-12-26(35)18-33-31(40)36-21-23-9-6-5-8-22(23)16-27(36)19-32-30(38)34-25-10-3-2-4-11-25/h2-6,8-11,13-14,17,26-27,37H,7,12,15-16,18-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1
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130n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127339
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(C)(C)C
Show InChI InChI=1S/C25H41N5OS/c1-24(2,3)28-22(31)26-16-21-14-18-10-7-8-11-19(18)17-29(21)23(32)27-15-20-12-9-13-30(20)25(4,5)6/h7-8,10-11,20-21H,9,12-17H2,1-6H3,(H,27,32)(H2,26,28,31)/t20-,21+/m1/s1
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137n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127353
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Oc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C30H35N5O2S/c36-28-14-6-8-22(16-28)20-34-15-7-13-26(34)18-32-30(38)35-21-24-10-5-4-9-23(24)17-27(35)19-31-29(37)33-25-11-2-1-3-12-25/h1-6,8-12,14,16,26-27,36H,7,13,15,17-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1
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140n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127344
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1
Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1
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159n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127344
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1
Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1
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159n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127340
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C22H35N5OS/c1-22(2,3)25-20(28)23-14-19-12-16-8-5-6-9-17(16)15-27(19)21(29)24-13-18-10-7-11-26(18)4/h5-6,8-9,18-19H,7,10-15H2,1-4H3,(H,24,29)(H2,23,25,28)/t18-,19+/m1/s1
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173n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127353
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Oc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C30H35N5O2S/c36-28-14-6-8-22(16-28)20-34-15-7-13-26(34)18-32-30(38)35-21-24-10-5-4-9-23(24)17-27(35)19-31-29(37)33-25-11-2-1-3-12-25/h1-6,8-12,14,16,26-27,36H,7,13,15,17-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1
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194n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127358
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C30H35N5OS/c36-29(33-26-14-5-2-6-15-26)31-20-28-18-24-12-7-8-13-25(24)22-35(28)30(37)32-19-27-16-9-17-34(27)21-23-10-3-1-4-11-23/h1-8,10-15,27-28H,9,16-22H2,(H,32,37)(H2,31,33,36)/t27-,28+/m1/s1
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205n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127362
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O
Show InChI InChI=1S/C31H37N5O3S/c1-39-28-15-7-11-24(29(28)37)20-35-16-8-14-26(35)18-33-31(40)36-21-23-10-6-5-9-22(23)17-27(36)19-32-30(38)34-25-12-3-2-4-13-25/h2-7,9-13,15,26-27,37H,8,14,16-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1
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263n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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290n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127349
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18+/m0/s1
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303n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127358
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C30H35N5OS/c36-29(33-26-14-5-2-6-15-26)31-20-28-18-24-12-7-8-13-25(24)22-35(28)30(37)32-19-27-16-9-17-34(27)21-23-10-3-1-4-11-23/h1-8,10-15,27-28H,9,16-22H2,(H,32,37)(H2,31,33,36)/t27-,28+/m1/s1
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303n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127338
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NCC1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18?/m0/s1
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308n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127345
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1
Show InChI InChI=1S/C23H29N5OS/c29-22(27-19-9-2-1-3-10-19)25-15-21-13-17-7-4-5-8-18(17)16-28(21)23(30)26-14-20-11-6-12-24-20/h1-5,7-10,20-21,24H,6,11-16H2,(H,26,30)(H2,25,27,29)/t20-,21+/m1/s1
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310n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127351
PNG
((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H41N5O3S/c1-25(2,3)29-22(32)27-16-21-14-18-10-7-8-11-19(18)17-31(21)23(35)28-15-20-12-9-13-30(20)24(33)34-26(4,5)6/h7-8,10-11,20-21H,9,12-17H2,1-6H3,(H,28,35)(H2,27,29,32)/t20-,21+/m1/s1
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330n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127335
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C21H32N4O3/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(27)23-13-18-9-6-10-28-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,27)(H2,22,24,26)/t17-,18+/m0/s1
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392n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127355
PNG
((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H38N6O2S/c1-28(2,3)32-25(35)29-18-24-16-20-10-7-8-11-21(20)19-34(24)27(37)30-17-23-14-9-15-33(23)26(36)31-22-12-5-4-6-13-22/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,37)(H,31,36)(H2,29,32,35)/t23-,24+/m1/s1
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395n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127361
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)c1ccccc1
Show InChI InChI=1S/C28H37N5O2S/c1-28(2,3)31-26(35)29-18-24-16-21-12-7-8-13-22(21)19-33(24)27(36)30-17-23-14-9-15-32(23)25(34)20-10-5-4-6-11-20/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,36)(H2,29,31,35)/t23-,24+/m1/s1
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405n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127347
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(=O)N1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C23H35N5O2S/c1-16(29)27-11-7-10-19(27)13-25-22(31)28-15-18-9-6-5-8-17(18)12-20(28)14-24-21(30)26-23(2,3)4/h5-6,8-9,19-20H,7,10-15H2,1-4H3,(H,25,31)(H2,24,26,30)/t19-,20+/m1/s1
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443n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127341
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C28H39N5OS/c1-28(2,3)31-26(34)29-18-25-16-22-12-7-8-13-23(22)20-33(25)27(35)30-17-24-14-9-15-32(24)19-21-10-5-4-6-11-21/h4-8,10-13,24-25H,9,14-20H2,1-3H3,(H,30,35)(H2,29,31,34)/t24-,25+/m1/s1
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480n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127338
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NCC1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18?/m0/s1
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481n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127341
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C28H39N5OS/c1-28(2,3)31-26(34)29-18-25-16-22-12-7-8-13-23(22)20-33(25)27(35)30-17-24-14-9-15-32(24)19-21-10-5-4-6-11-21/h4-8,10-13,24-25H,9,14-20H2,1-3H3,(H,30,35)(H2,29,31,34)/t24-,25+/m1/s1
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508n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127354
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1ccccc1CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C31H37N5O2S/c1-38-29-16-8-7-12-25(29)21-35-17-9-15-27(35)19-33-31(39)36-22-24-11-6-5-10-23(24)18-28(36)20-32-30(37)34-26-13-3-2-4-14-26/h2-8,10-14,16,27-28H,9,15,17-22H2,1H3,(H,33,39)(H2,32,34,37)/t27-,28+/m1/s1
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509n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127349
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18+/m0/s1
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511n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127337
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES Oc1ccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C30H35N5O2S/c36-28-14-12-22(13-15-28)20-34-16-6-11-26(34)18-32-30(38)35-21-24-8-5-4-7-23(24)17-27(35)19-31-29(37)33-25-9-2-1-3-10-25/h1-5,7-10,12-15,26-27,36H,6,11,16-21H2,(H,32,38)(H2,31,33,37)/t26-,27+/m1/s1
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530n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127362
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES COc1cccc(CN2CCC[C@@H]2CNC(=S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1O
Show InChI InChI=1S/C31H37N5O3S/c1-39-28-15-7-11-24(29(28)37)20-35-16-8-14-26(35)18-33-31(40)36-21-23-10-6-5-9-22(23)17-27(36)19-32-30(38)34-25-12-3-2-4-13-25/h2-7,9-13,15,26-27,37H,8,14,16-21H2,1H3,(H,33,40)(H2,32,34,38)/t26-,27+/m1/s1
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543n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127361
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)c1ccccc1
Show InChI InChI=1S/C28H37N5O2S/c1-28(2,3)31-26(35)29-18-24-16-21-12-7-8-13-22(21)19-33(24)27(36)30-17-23-14-9-15-32(23)25(34)20-10-5-4-6-11-20/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,36)(H2,29,31,35)/t23-,24+/m1/s1
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551n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127345
PNG
((S)-3-[(3-Phenyl-ureido)-methyl]-3,4-dihydro-1H-is...)
Show SMILES O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1
Show InChI InChI=1S/C23H29N5OS/c29-22(27-19-9-2-1-3-10-19)25-15-21-13-17-7-4-5-8-18(17)16-28(21)23(30)26-14-20-11-6-12-24-20/h1-5,7-10,20-21,24H,6,11-16H2,(H,26,30)(H2,25,27,29)/t20-,21+/m1/s1
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554n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127335
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C21H32N4O3/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(27)23-13-18-9-6-10-28-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,27)(H2,22,24,26)/t17-,18+/m0/s1
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649n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127338
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NCC1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18?/m0/s1
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685n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50101623
PNG
((4-Hydroxy-2,6-dimethyl-phenyl)-[(1,2,3,4-tetrahyd...)
Show SMILES Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-11-7-15(23)8-12(2)17(11)18(20(25)26)22-19(24)16-9-13-5-3-4-6-14(13)10-21-16/h3-8,16,18,21,23H,9-10H2,1-2H3,(H,22,24)(H,25,26)
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945n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127351
PNG
((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H41N5O3S/c1-25(2,3)29-22(32)27-16-21-14-18-10-7-8-11-19(18)17-31(21)23(35)28-15-20-12-9-13-30(20)24(33)34-26(4,5)6/h7-8,10-11,20-21H,9,12-17H2,1-6H3,(H,28,35)(H2,27,29,32)/t20-,21+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127347
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(=O)N1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C23H35N5O2S/c1-16(29)27-11-7-10-19(27)13-25-22(31)28-15-18-9-6-5-8-17(18)12-20(28)14-24-21(30)26-23(2,3)4/h5-6,8-9,19-20H,7,10-15H2,1-4H3,(H,25,31)(H2,24,26,30)/t19-,20+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127352
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@@H]1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127347
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(=O)N1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C23H35N5O2S/c1-16(29)27-11-7-10-19(27)13-25-22(31)28-15-18-9-6-5-8-17(18)12-20(28)14-24-21(30)26-23(2,3)4/h5-6,8-9,19-20H,7,10-15H2,1-4H3,(H,25,31)(H2,24,26,30)/t19-,20+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127361
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)c1ccccc1
Show InChI InChI=1S/C28H37N5O2S/c1-28(2,3)31-26(35)29-18-24-16-21-12-7-8-13-22(21)19-33(24)27(36)30-17-23-14-9-15-32(23)25(34)20-10-5-4-6-11-20/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,36)(H2,29,31,35)/t23-,24+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127335
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C21H32N4O3/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(27)23-13-18-9-6-10-28-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,27)(H2,22,24,26)/t17-,18+/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127340
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C22H35N5OS/c1-22(2,3)25-20(28)23-14-19-12-16-8-5-6-9-17(16)15-27(19)21(29)24-13-18-10-7-11-26(18)4/h5-6,8-9,18-19H,7,10-15H2,1-4H3,(H,24,29)(H2,23,25,28)/t18-,19+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127344
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1
Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127339
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(C)(C)C
Show InChI InChI=1S/C25H41N5OS/c1-24(2,3)28-22(31)26-16-21-14-18-10-7-8-11-19(18)17-29(21)23(32)27-15-20-12-9-13-30(20)25(4,5)6/h7-8,10-11,20-21H,9,12-17H2,1-6H3,(H,27,32)(H2,26,28,31)/t20-,21+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127339
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(C)(C)C
Show InChI InChI=1S/C25H41N5OS/c1-24(2,3)28-22(31)26-16-21-14-18-10-7-8-11-19(18)17-29(21)23(32)27-15-20-12-9-13-30(20)25(4,5)6/h7-8,10-11,20-21H,9,12-17H2,1-6H3,(H,27,32)(H2,26,28,31)/t20-,21+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127355
PNG
((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H38N6O2S/c1-28(2,3)32-25(35)29-18-24-16-20-10-7-8-11-21(20)19-34(24)27(37)30-17-23-14-9-15-33(23)26(36)31-22-12-5-4-6-13-22/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,37)(H,31,36)(H2,29,32,35)/t23-,24+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127351
PNG
((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H41N5O3S/c1-25(2,3)29-22(32)27-16-21-14-18-10-7-8-11-19(18)17-31(21)23(35)28-15-20-12-9-13-30(20)24(33)34-26(4,5)6/h7-8,10-11,20-21H,9,12-17H2,1-6H3,(H,28,35)(H2,27,29,32)/t20-,21+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127340
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CN1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C22H35N5OS/c1-22(2,3)25-20(28)23-14-19-12-16-8-5-6-9-17(16)15-27(19)21(29)24-13-18-10-7-11-26(18)4/h5-6,8-9,18-19H,7,10-15H2,1-4H3,(H,24,29)(H2,23,25,28)/t18-,19+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127355
PNG
((R)-2-({[(S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dih...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H38N6O2S/c1-28(2,3)32-25(35)29-18-24-16-20-10-7-8-11-21(20)19-34(24)27(37)30-17-23-14-9-15-33(23)26(36)31-22-12-5-4-6-13-22/h4-8,10-13,23-24H,9,14-19H2,1-3H3,(H,30,37)(H,31,36)(H2,29,32,35)/t23-,24+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127344
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1
Show InChI InChI=1S/C21H33N5OS/c1-21(2,3)25-19(27)23-13-18-11-15-7-4-5-8-16(15)14-26(18)20(28)24-12-17-9-6-10-22-17/h4-5,7-8,17-18,22H,6,9-14H2,1-3H3,(H,24,28)(H2,23,25,27)/t17-,18+/m1/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50101623
PNG
((4-Hydroxy-2,6-dimethyl-phenyl)-[(1,2,3,4-tetrahyd...)
Show SMILES Cc1cc(O)cc(C)c1C(NC(=O)C1Cc2ccccc2CN1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-11-7-15(23)8-12(2)17(11)18(20(25)26)22-19(24)16-9-13-5-3-4-6-14(13)10-21-16/h3-8,16,18,21,23H,9-10H2,1-2H3,(H,22,24)(H,25,26)
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127352
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@@H]1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18-/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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


(Homo sapiens (Human))
BDBM50127352
PNG
((S)-3-(3-tert-Butyl-ureidomethyl)-3,4-dihydro-1H-i...)
Show SMILES CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@@H]1CCCO1
Show InChI InChI=1S/C21H32N4O2S/c1-21(2,3)24-19(26)22-12-17-11-15-7-4-5-8-16(15)14-25(17)20(28)23-13-18-9-6-10-27-18/h4-5,7-8,17-18H,6,9-14H2,1-3H3,(H,23,28)(H2,22,24,26)/t17-,18-/m0/s1
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 13: 1585-9 (2003)

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