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PubMed code 26005537

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50092198
PNG
(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/s2
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n/an/a 0.420n/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 membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/s2
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n/an/a 0.490n/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 membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096744
PNG
(CHEMBL3580746)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-38(54)32(16-23-8-4-3-5-9-23)47-39(55)33(48-37(30)53)17-24-11-12-25(40)18-28(24)41/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t29-,30+,31-,32-,33-/s2
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n/an/a 0.540n/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 membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096745
PNG
(CHEMBL3580745)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)32(18-24-8-4-3-5-9-24)47-39(54)33(46-37(30)52)19-25-11-13-26(40)14-12-25/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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n/an/a 0.550n/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 membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50092199
PNG
(CHEMBL3582487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(42-34(49)27(39)18-23-11-15-26(46)16-12-23)35(50)44-30(37(52)45-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/a 0.600n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096744
PNG
(CHEMBL3580746)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-38(54)32(16-23-8-4-3-5-9-23)47-39(55)33(48-37(30)53)17-24-11-12-25(40)18-28(24)41/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t29-,30+,31-,32-,33-/s2
PDB

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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096789
PNG
(CHEMBL3582485)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096788
PNG
(CHEMBL3582484)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-37(52)45-30(19-22-6-2-1-3-7-22)36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(35(50)44-31)42-34(49)27(39)18-23-11-15-26(46)16-12-23/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu 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 mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50092198
PNG
(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096786
PNG
(CHEMBL3580750)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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n/an/a 0.920n/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 membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50092199
PNG
(CHEMBL3582487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(42-34(49)27(39)18-23-11-15-26(46)16-12-23)35(50)44-30(37(52)45-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/a 0.980n/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 membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096786
PNG
(CHEMBL3580750)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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n/an/a 1.20n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096791
PNG
(CHEMBL3580744)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(45-34(52)27(42)18-23-11-15-26(49)16-12-23)35(53)47-30(37(55)48-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096791
PNG
(CHEMBL3580744)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(45-34(52)27(42)18-23-11-15-26(49)16-12-23)35(53)47-30(37(55)48-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096745
PNG
(CHEMBL3580745)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)32(18-24-8-4-3-5-9-24)47-39(54)33(46-37(30)52)19-25-11-13-26(40)14-12-25/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096788
PNG
(CHEMBL3582484)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-37(52)45-30(19-22-6-2-1-3-7-22)36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(35(50)44-31)42-34(49)27(39)18-23-11-15-26(46)16-12-23/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096789
PNG
(CHEMBL3582485)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096738
PNG
(CHEMBL3580747)
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](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)32(18-24-8-4-3-5-9-24)50-39(57)33(49-37(30)55)19-25-11-13-26(14-12-25)40(41,42)43/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50096790
PNG
(CHEMBL3582486)
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](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-37(55)48-30(19-22-6-2-1-3-7-22)36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(35(53)47-31)45-34(52)27(42)18-23-11-15-26(49)16-12-23/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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n/an/a 25n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50092198
PNG
(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096745
PNG
(CHEMBL3580745)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)32(18-24-8-4-3-5-9-24)47-39(54)33(46-37(30)52)19-25-11-13-26(40)14-12-25/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50092199
PNG
(CHEMBL3582487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(42-34(49)27(39)18-23-11-15-26(46)16-12-23)35(50)44-30(37(52)45-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/a 286n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096744
PNG
(CHEMBL3580746)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-38(54)32(16-23-8-4-3-5-9-23)47-39(55)33(48-37(30)53)17-24-11-12-25(40)18-28(24)41/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096788
PNG
(CHEMBL3582484)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-37(52)45-30(19-22-6-2-1-3-7-22)36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(35(50)44-31)42-34(49)27(39)18-23-11-15-26(46)16-12-23/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096791
PNG
(CHEMBL3580744)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(45-34(52)27(42)18-23-11-15-26(49)16-12-23)35(53)47-30(37(55)48-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096738
PNG
(CHEMBL3580747)
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](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)32(18-24-8-4-3-5-9-24)50-39(57)33(49-37(30)55)19-25-11-13-26(14-12-25)40(41,42)43/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50096790
PNG
(CHEMBL3582486)
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](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-37(55)48-30(19-22-6-2-1-3-7-22)36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(35(53)47-31)45-34(52)27(42)18-23-11-15-26(49)16-12-23/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096790
PNG
(CHEMBL3582486)
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](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-37(55)48-30(19-22-6-2-1-3-7-22)36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(35(53)47-31)45-34(52)27(42)18-23-11-15-26(49)16-12-23/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096789
PNG
(CHEMBL3582485)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096738
PNG
(CHEMBL3580747)
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](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)32(18-24-8-4-3-5-9-24)50-39(57)33(49-37(30)55)19-25-11-13-26(14-12-25)40(41,42)43/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(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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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50096786
PNG
(CHEMBL3580750)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic 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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Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 2.80n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50096785
PNG
(DYNORPHIN A (1-17) | Dynorphin A)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Show InChI InChI=1/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092199
PNG
(CHEMBL3582487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(42-34(49)27(39)18-23-11-15-26(46)16-12-23)35(50)44-30(37(52)45-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 51n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096788
PNG
(CHEMBL3582484)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-37(52)45-30(19-22-6-2-1-3-7-22)36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(35(50)44-31)42-34(49)27(39)18-23-11-15-26(46)16-12-23/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 10n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096789
PNG
(CHEMBL3582485)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 7.60n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096785
PNG
(DYNORPHIN A (1-17) | Dynorphin A)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Show InChI InChI=1/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/s2
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n/an/an/an/a 214n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096744
PNG
(CHEMBL3580746)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-38(54)32(16-23-8-4-3-5-9-23)47-39(55)33(48-37(30)53)17-24-11-12-25(40)18-28(24)41/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 2.80n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50096788
PNG
(CHEMBL3582484)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-37(52)45-30(19-22-6-2-1-3-7-22)36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(35(50)44-31)42-34(49)27(39)18-23-11-15-26(46)16-12-23/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 457n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092198
PNG
(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 4.90n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092199
PNG
(CHEMBL3582487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(42-34(49)27(39)18-23-11-15-26(46)16-12-23)35(50)44-30(37(52)45-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 1n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096785
PNG
(DYNORPHIN A (1-17) | Dynorphin A)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Show InChI InChI=1/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/s2
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n/an/an/an/a 1.80n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096745
PNG
(CHEMBL3580745)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)32(18-24-8-4-3-5-9-24)47-39(54)33(46-37(30)52)19-25-11-13-26(40)14-12-25/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 4.80n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096786
PNG
(CHEMBL3580750)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 3.60n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 1.30n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 8.70n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096744
PNG
(CHEMBL3580746)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-38(54)32(16-23-8-4-3-5-9-23)47-39(55)33(48-37(30)53)17-24-11-12-25(40)18-28(24)41/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,55)(H,48,53)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 5.10n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096745
PNG
(CHEMBL3580745)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)32(18-24-8-4-3-5-9-24)47-39(54)33(46-37(30)52)19-25-11-13-26(40)14-12-25/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 2.5n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096791
PNG
(CHEMBL3580744)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(45-34(52)27(42)18-23-11-15-26(49)16-12-23)35(53)47-30(37(55)48-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 5.20n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50096738
PNG
(CHEMBL3580747)
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](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)32(18-24-8-4-3-5-9-24)50-39(57)33(49-37(30)55)19-25-11-13-26(14-12-25)40(41,42)43/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 9.30n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50096736
PNG
(CHEMBL3580748)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H48FN7O7/c1-22-16-27(48)17-23(2)28(22)20-29(41)36(51)44-30-10-6-7-15-43-34(49)21-31(35(42)50)45-38(53)33(19-25-11-13-26(40)14-12-25)47-39(54)32(46-37(30)52)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,48H,6-7,10,15,18-21,41H2,1-2H3,(H2,42,50)(H,43,49)(H,44,51)(H,45,53)(H,46,52)(H,47,54)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 34n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50092198
PNG
(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 6.30n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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/an/an/a 14n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096789
PNG
(CHEMBL3582485)
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](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 4.10n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096787
PNG
(CHEMBL3580749)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C39H47F2N7O7/c1-21-14-26(49)15-22(2)27(21)19-29(42)36(52)45-30-10-6-7-13-44-34(50)20-31(35(43)51)46-39(55)33(17-24-11-12-25(40)18-28(24)41)48-38(54)32(47-37(30)53)16-23-8-4-3-5-9-23/h3-5,8-9,11-12,14-15,18,29-33,49H,6-7,10,13,16-17,19-20,42H2,1-2H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,53)(H,48,54)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 1.70n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096791
PNG
(CHEMBL3580744)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(45-34(52)27(42)18-23-11-15-26(49)16-12-23)35(53)47-30(37(55)48-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 12n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096788
PNG
(CHEMBL3582484)
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](Cc2ccc(F)cc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-37(52)45-30(19-22-6-2-1-3-7-22)36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(35(50)44-31)42-34(49)27(39)18-23-11-15-26(46)16-12-23/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 2.60n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096790
PNG
(CHEMBL3582486)
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](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-37(55)48-30(19-22-6-2-1-3-7-22)36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(35(53)47-31)45-34(52)27(42)18-23-11-15-26(49)16-12-23/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 72n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50096791
PNG
(CHEMBL3580744)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C38H44F3N7O7/c39-38(40,41)25-13-9-24(10-14-25)20-31-36(54)46-29(33(43)51)21-32(50)44-17-5-4-8-28(45-34(52)27(42)18-23-11-15-26(49)16-12-23)35(53)47-30(37(55)48-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,49H,4-5,8,17-21,42H2,(H2,43,51)(H,44,50)(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 162n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096786
PNG
(CHEMBL3580750)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/s2
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n/an/an/an/a 6.80n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50092199
PNG
(CHEMBL3582487)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(42-34(49)27(39)18-23-11-15-26(46)16-12-23)35(50)44-30(37(52)45-31)19-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 3.20n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092198
PNG
(CHEMBL3580743)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(F)cc2F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)44-29(33(41)49)20-32(48)42-15-5-4-8-28(43-34(50)27(40)16-22-9-13-25(47)14-10-22)35(51)45-30(36(52)46-31)17-21-6-2-1-3-7-21/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,53)(H,45,51)(H,46,52)/t27-,28+,29-,30-,31-/s2
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n/an/an/an/a 126n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium rele...


ACS Med Chem Lett 6: 579-83 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00056
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%