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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'fichna' and Initial = 'j'   
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))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50203827
PNG
(CHEMBL385583 | Dmt-Pro-Phe-D-1-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C38H43N5O5/c1-23-18-26(19-24(2)34(23)44)20-30(39)38(48)43-17-9-16-33(43)37(47)42-32(21-25-10-4-3-5-11-25)36(46)41-31(35(40)45)22-28-14-8-13-27-12-6-7-15-29(27)28/h3-8,10-15,18-19,30-33,44H,9,16-17,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t30-,31+,32-,33-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50232769
PNG
(CHEMBL254919 | Dmt-Pro-Phe-D-2-Nal-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32+,33-,34-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50203823
PNG
(CHEMBL218433 | Dmt-Pro-Trp-D-2-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C40H44N6O5/c1-23-16-26(17-24(2)36(23)47)19-31(41)40(51)46-15-7-12-35(46)39(50)45-34(21-29-22-43-32-11-6-5-10-30(29)32)38(49)44-33(37(42)48)20-25-13-14-27-8-3-4-9-28(27)18-25/h3-6,8-11,13-14,16-18,22,31,33-35,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t31-,33+,34-,35-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50232769
PNG
(CHEMBL254919 | Dmt-Pro-Phe-D-2-Nal-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32+,33-,34-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50203823
PNG
(CHEMBL218433 | Dmt-Pro-Trp-D-2-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C40H44N6O5/c1-23-16-26(17-24(2)36(23)47)19-31(41)40(51)46-15-7-12-35(46)39(50)45-34(21-29-22-43-32-11-6-5-10-30(29)32)38(49)44-33(37(42)48)20-25-13-14-27-8-3-4-9-28(27)18-25/h3-6,8-11,13-14,16-18,22,31,33-35,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t31-,33+,34-,35-/m0/s1
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17n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50203827
PNG
(CHEMBL385583 | Dmt-Pro-Phe-D-1-Nal-NH2)
Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc23)C(N)=O)cc(C)c1O
Show InChI InChI=1S/C38H43N5O5/c1-23-18-26(19-24(2)34(23)44)20-30(39)38(48)43-17-9-16-33(43)37(47)42-32(21-25-10-4-3-5-11-25)36(46)41-31(35(40)45)22-28-14-8-13-27-12-6-7-15-29(27)28/h3-8,10-15,18-19,30-33,44H,9,16-17,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t30-,31+,32-,33-/m0/s1
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27n/an/an/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50334060
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C26H35NO8/c1-13(2)19(27)24(31)34-17-10-16(22(29)32-5)25(3)8-6-15-23(30)35-18(14-7-9-33-12-14)11-26(15,4)21(25)20(17)28/h7,9,12-13,15-19,21H,6,8,10-11,27H2,1-5H3/t15-,16-,17-,18-,19-,21-,25-,26-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50229666
PNG
((2S,3S)-2-((S)-1-((2S,3S)-2-amino-3-methylpentanoy...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50229666
PNG
((2S,3S)-2-((S)-1-((2S,3S)-2-amino-3-methylpentanoy...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50334059
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C24H31NO8/c1-12(25)20(27)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(13-6-8-31-11-13)10-24(14,3)19(23)18(16)26/h6,8,11-12,14-17,19H,5,7,9-10,25H2,1-4H3/t12-,14-,15-,16-,17-,19-,23-,24-/m0/s1
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3.78E+3n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50334060
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C26H35NO8/c1-13(2)19(27)24(31)34-17-10-16(22(29)32-5)25(3)8-6-15-23(30)35-18(14-7-9-33-12-14)11-26(15,4)21(25)20(17)28/h7,9,12-13,15-19,21H,6,8,10-11,27H2,1-5H3/t15-,16-,17-,18-,19-,21-,25-,26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50334060
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C26H35NO8/c1-13(2)19(27)24(31)34-17-10-16(22(29)32-5)25(3)8-6-15-23(30)35-18(14-7-9-33-12-14)11-26(15,4)21(25)20(17)28/h7,9,12-13,15-19,21H,6,8,10-11,27H2,1-5H3/t15-,16-,17-,18-,19-,21-,25-,26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50334059
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C24H31NO8/c1-12(25)20(27)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(13-6-8-31-11-13)10-24(14,3)19(23)18(16)26/h6,8,11-12,14-17,19H,5,7,9-10,25H2,1-4H3/t12-,14-,15-,16-,17-,19-,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50334059
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C24H31NO8/c1-12(25)20(27)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(13-6-8-31-11-13)10-24(14,3)19(23)18(16)26/h6,8,11-12,14-17,19H,5,7,9-10,25H2,1-4H3/t12-,14-,15-,16-,17-,19-,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 160-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.046
BindingDB Entry DOI: 10.7270/Q2R49R1S
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50487907
PNG
(CHEMBL2261078)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H24N4O4/c1-10(15(19)23)20-16(24)14-3-2-8-21(14)17(25)13(18)9-11-4-6-12(22)7-5-11/h4-7,10,13-14,22H,2-3,8-9,18H2,1H3,(H2,19,23)(H,20,24)/t10-,13-,14-/m0/s1
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8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50487906
PNG
(CHEMBL2261077)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H23N3O5/c1-10(17(24)25)19-15(22)14-3-2-8-20(14)16(23)13(18)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50487906
PNG
(CHEMBL2261077)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H23N3O5/c1-10(17(24)25)19-15(22)14-3-2-8-20(14)16(23)13(18)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50487907
PNG
(CHEMBL2261078)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H24N4O4/c1-10(15(19)23)20-16(24)14-3-2-8-21(14)17(25)13(18)9-11-4-6-12(22)7-5-11/h4-7,10,13-14,22H,2-3,8-9,18H2,1H3,(H2,19,23)(H,20,24)/t10-,13-,14-/m0/s1
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1.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50487907
PNG
(CHEMBL2261078)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H24N4O4/c1-10(15(19)23)20-16(24)14-3-2-8-21(14)17(25)13(18)9-11-4-6-12(22)7-5-11/h4-7,10,13-14,22H,2-3,8-9,18H2,1H3,(H2,19,23)(H,20,24)/t10-,13-,14-/m0/s1
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1.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50487906
PNG
(CHEMBL2261077)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H23N3O5/c1-10(17(24)25)19-15(22)14-3-2-8-20(14)16(23)13(18)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1
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2.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50487906
PNG
(CHEMBL2261077)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H23N3O5/c1-10(17(24)25)19-15(22)14-3-2-8-20(14)16(23)13(18)9-11-4-6-12(21)7-5-11/h4-7,10,13-14,21H,2-3,8-9,18H2,1H3,(H,19,22)(H,24,25)/t10-,13-,14-/m0/s1
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2.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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3.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50487907
PNG
(CHEMBL2261078)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C17H24N4O4/c1-10(15(19)23)20-16(24)14-3-2-8-21(14)17(25)13(18)9-11-4-6-12(22)7-5-11/h4-7,10,13-14,22H,2-3,8-9,18H2,1H3,(H2,19,23)(H,20,24)/t10-,13-,14-/m0/s1
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4.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min


Med Chem Res 21: 1445-1450 (2012)


Article DOI: 10.1007/s00044-011-9666-5
BindingDB Entry DOI: 10.7270/Q2NP27BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50232770
PNG
((S)-2-Amino-N-{[(S)-1-((R)-1-carbamoyl-2-naphthale...)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C36H41N5O5/c1-22-15-28(42)16-23(2)29(22)20-30(37)36(46)41(3)21-33(43)39-32(18-24-9-5-4-6-10-24)35(45)40-31(34(38)44)19-25-13-14-26-11-7-8-12-27(26)17-25/h4-17,30-32,42H,18-21,37H2,1-3H3,(H2,38,44)(H,39,43)(H,40,45)/t30-,31+,32-/m0/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor in rat brain membranes


Bioorg Med Chem Lett 18: 1350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.009
BindingDB Entry DOI: 10.7270/Q2QR4WWN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50278897
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H43N5O5/c1-22-16-27(41)17-23(2)28(22)20-29(36)35(45)40-15-9-14-26(21-40)33(43)39-31(19-25-12-7-4-8-13-25)34(44)38-30(32(37)42)18-24-10-5-3-6-11-24/h3-8,10-13,16-17,26,29-31,41H,9,14-15,18-21,36H2,1-2H3,(H2,37,42)(H,38,44)(H,39,43)/t26-,29+,30+,31+/m1/s1
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n/an/a 0.0350n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50278895
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(21-38)31(41)37-29(20-23-10-5-2-6-11-23)32(42)36-28(30(35)40)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,40)(H,36,42)(H,37,41)/t25-,27+,28+,29+/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50318416
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-phenyl-6-demet...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@@]4(C=C1)c1ccccc1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.25,19.26,c:24,(23.09,-14.49,;24.42,-13.73,;25.17,-15.04,;26.9,-15.07,;28.41,-14.49,;29.75,-13.72,;30.67,-15.2,;29.74,-16.81,;28.42,-16.04,;27.08,-16.79,;25.75,-16.04,;25.75,-14.49,;27.07,-13.71,;27.07,-12.18,;28.41,-11.4,;28.41,-9.86,;29.73,-9.09,;27.08,-9.1,;28.39,-8.33,;29.74,-12.18,;28.68,-12.53,;28.17,-13.3,;31.08,-11.4,;32.42,-12.17,;33.75,-11.39,;33.75,-9.84,;32.4,-9.08,;31.07,-9.86,;27.07,-18.33,;28.4,-19.1,;29.74,-18.33,;31.07,-19.11,)|
Show InChI InChI=1S/C29H33NO2/c1-26(2,3)21-17-27-12-13-28(21,19-8-6-5-7-9-19)25-29(27)14-15-30(4)22(27)16-18-10-11-20(31)24(32-25)23(18)29/h5-13,21-22,25,31H,14-17H2,1-4H3/t21-,22-,25+,27-,28-,29+/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50318412
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-propoxy-6-deme...)
Show SMILES CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:14.30,wD:23.23,24.32,9.10,7.6,4.3,c:5,(1.44,-11.96,;.13,-11.21,;-1.18,-11.97,;-2.5,-11.22,;-3.84,-12,;-4.9,-12.35,;-5.41,-13.12,;-6.51,-13.54,;-6.51,-12,;-5.17,-11.22,;-5.17,-9.68,;-3.85,-8.91,;-6.51,-8.92,;-5.19,-8.15,;-7.84,-14.32,;-7.84,-15.86,;-6.51,-16.62,;-6.51,-18.16,;-5.18,-18.93,;-3.84,-18.16,;-2.51,-18.94,;-3.84,-16.64,;-2.91,-15.03,;-3.83,-13.54,;-5.17,-14.31,;-6.68,-14.89,;-8.41,-14.87,;-9.17,-13.56,;-10.49,-14.32,;-5.17,-15.86,)|
Show InChI InChI=1S/C26H35NO3/c1-6-13-29-26-10-9-24(15-18(26)23(2,3)4)19-14-16-7-8-17(28)21-20(16)25(24,22(26)30-21)11-12-27(19)5/h7-10,18-19,22,28H,6,11-15H2,1-5H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50318415
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-(cyclopropylme...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](C(C)(C)C)[C@]4(OCC2CC2)C=C1)ccc5O |r,wU:11.12,wD:5.5,4.8,14.17,12.31,19.23,c:30,(6.18,-14.36,;7.51,-13.59,;8.27,-14.91,;9.99,-14.93,;11.51,-14.35,;12.85,-13.58,;13.77,-15.06,;12.84,-16.68,;11.51,-15.9,;10.17,-16.66,;8.84,-15.9,;8.84,-14.36,;10.17,-13.58,;10.17,-12.04,;11.51,-11.26,;11.5,-9.72,;12.83,-8.95,;10.17,-8.95,;11.49,-8.18,;12.84,-12.04,;14.18,-11.26,;15.49,-12.01,;16.8,-11.25,;18.31,-11.24,;17.55,-9.93,;11.78,-12.39,;11.27,-13.16,;10.17,-18.2,;11.5,-18.97,;12.84,-18.2,;14.17,-18.97,)|
Show InChI InChI=1S/C27H35NO3/c1-24(2,3)19-14-25-9-10-27(19,30-15-16-5-6-16)23-26(25)11-12-28(4)20(25)13-17-7-8-18(29)22(31-23)21(17)26/h7-10,16,19-20,23,29H,5-6,11-15H2,1-4H3/t19-,20-,23-,25-,26+,27-/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50318413
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-ethoxy-6-demet...)
Show SMILES CCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:13.29,wD:22.22,23.31,8.9,6.5,3.2,c:4,(32.35,2.87,;31.04,2.11,;29.73,2.86,;28.39,2.08,;27.33,1.73,;26.82,.96,;25.72,.54,;25.72,2.08,;27.06,2.86,;27.05,4.4,;28.38,5.17,;25.72,5.16,;27.04,5.93,;24.39,-.24,;24.39,-1.78,;25.72,-2.54,;25.72,-4.08,;27.05,-4.85,;28.39,-4.08,;29.72,-4.85,;28.39,-2.56,;29.32,-.95,;28.39,.54,;27.06,-.23,;25.54,-.81,;23.82,-.79,;23.06,.52,;21.73,-.24,;27.06,-1.78,)|
Show InChI InChI=1S/C25H33NO3/c1-6-28-25-10-9-23(14-17(25)22(2,3)4)18-13-15-7-8-16(27)20-19(15)24(23,21(25)29-20)11-12-26(18)5/h7-10,17-18,21,27H,6,11-14H2,1-5H3/t17-,18-,21-,23-,24+,25-/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50359547
PNG
(CHEMBL1927271)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-23-17-27(47)18-24(2)28(23)21-29(40)36(50)43-30-15-9-10-16-42-34(48)22-31(35(41)49)44-38(52)32(19-25-11-5-3-6-12-25)46-39(53)33(45-37(30)51)20-26-13-7-4-8-14-26/h3-8,11-14,17-18,29-33,47H,9-10,15-16,19-22,40H2,1-2H3,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,51)(H,46,53)/t29-,30+,31-,32-,33-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50278893
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C37H44N6O5/c1-22-15-27(44)16-23(2)29(22)19-30(38)37(48)43-14-8-11-25(21-43)35(46)42-33(18-26-20-40-31-13-7-6-12-28(26)31)36(47)41-32(34(39)45)17-24-9-4-3-5-10-24/h3-7,9-10,12-13,15-16,20,25,30,32-33,40,44H,8,11,14,17-19,21,38H2,1-2H3,(H2,39,45)(H,41,47)(H,42,46)/t25-,30+,32+,33+/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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n/an/a 0.430n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50318414
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6,7,8,14-tetrahy...)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |r,wU:12.28,wD:21.21,22.30,7.8,5.4,2.1,c:3,(13.48,2.74,;12.17,3.49,;10.83,2.71,;9.77,2.36,;9.26,1.59,;8.16,1.17,;8.16,2.71,;9.5,3.49,;9.49,5.03,;10.82,5.8,;8.16,5.79,;9.48,6.56,;6.83,.39,;6.83,-1.15,;8.16,-1.91,;8.16,-3.45,;9.49,-4.22,;10.83,-3.45,;12.16,-4.22,;10.83,-1.93,;11.76,-.31,;10.84,1.17,;9.5,.4,;7.99,-.18,;6.26,-.16,;5.5,1.16,;4.18,.39,;9.5,-1.15,)|
Show InChI InChI=1S/C24H31NO3/c1-21(2,3)16-13-22-8-9-24(16,27-5)20-23(22)10-11-25(4)17(22)12-14-6-7-15(26)19(28-20)18(14)23/h6-9,16-17,20,26H,10-13H2,1-5H3/t16-,17-,20-,22-,23+,24-/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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n/an/a 0.560n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from delta opioid receptor in rat brain membranes


Bioorg Med Chem Lett 18: 1350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.009
BindingDB Entry DOI: 10.7270/Q2QR4WWN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50359546
PNG
(CHEMBL1927270)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C37H45N7O7/c38-27(19-25-14-16-26(45)17-15-25)34(48)41-28-13-7-8-18-40-32(46)22-29(33(39)47)42-36(50)30(20-23-9-3-1-4-10-23)44-37(51)31(43-35(28)49)21-24-11-5-2-6-12-24/h1-6,9-12,14-17,27-31,45H,7-8,13,18-22,38H2,(H2,39,47)(H,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t27-,28+,29-,30-,31-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 0.690n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor in rat brain membranes


Bioorg Med Chem Lett 18: 1350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.009
BindingDB Entry DOI: 10.7270/Q2QR4WWN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50053573
PNG
(CHEMBL3327220)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]([C@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C38H41N5O5/c39-32(20-27-16-18-29(44)19-17-27)38(48)43-23-30(28-14-8-3-9-15-28)31(24-43)36(46)42-34(22-26-12-6-2-7-13-26)37(47)41-33(35(40)45)21-25-10-4-1-5-11-25/h1-19,30-34,44H,20-24,39H2,(H2,40,45)(H,41,47)(H,42,46)/t30-,31+,32+,33+,34+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50232769
PNG
(CHEMBL254919 | Dmt-Pro-Phe-D-2-Nal-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C38H43N5O5/c1-23-17-29(44)18-24(2)30(23)22-31(39)38(48)43-16-8-13-34(43)37(47)42-33(20-25-9-4-3-5-10-25)36(46)41-32(35(40)45)21-26-14-15-27-11-6-7-12-28(27)19-26/h3-7,9-12,14-15,17-19,31-34,44H,8,13,16,20-22,39H2,1-2H3,(H2,40,45)(H,41,46)(H,42,47)/t31-,32+,33-,34-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor in rat brain membranes


Bioorg Med Chem Lett 18: 1350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.009
BindingDB Entry DOI: 10.7270/Q2QR4WWN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50053572
PNG
(CHEMBL3327221)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@H]([C@@H](C1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C38H41N5O5/c39-32(20-27-16-18-29(44)19-17-27)38(48)43-23-30(28-14-8-3-9-15-28)31(24-43)36(46)42-34(22-26-12-6-2-7-13-26)37(47)41-33(35(40)45)21-25-10-4-1-5-11-25/h1-19,30-34,44H,20-24,39H2,(H2,40,45)(H,41,47)(H,42,46)/t30-,31+,32-,33-,34-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in rat brain membranes


Bioorg Med Chem 22: 4803-9 (2014)


Article DOI: 10.1016/j.bmc.2014.06.056
BindingDB Entry DOI: 10.7270/Q2251KT4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50278891
PNG
((R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-9-24(21-41)33(44)40-31(19-25-20-38-29-11-5-4-10-27(25)29)34(45)39-30(32(37)43)18-22-7-2-1-3-8-22/h1-5,7-8,10-15,20,24,28,30-31,38,42H,6,9,16-19,21,36H2,(H2,37,43)(H,39,45)(H,40,44)/t24-,28+,30+,31+/m1/s1
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n/an/a 3.55n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane


Bioorg Med Chem 17: 3789-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.046
BindingDB Entry DOI: 10.7270/Q2BV7GHH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50359551
PNG
(CHEMBL1927275)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C35H47N7O7/c1-20-15-23(43)16-21(2)24(20)18-25(36)32(46)40-27-19-30(44)38-13-7-6-11-26(31(37)45)39-34(48)29-12-8-14-42(29)35(49)28(41-33(27)47)17-22-9-4-3-5-10-22/h3-5,9-10,15-16,25-29,43H,6-8,11-14,17-19,36H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)/t25-,26-,27+,28-,29+/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum


Bioorg Med Chem Lett 23: 6673-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.041
BindingDB Entry DOI: 10.7270/Q2542RJK
More data for this
Ligand-Target Pair
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