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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'sobczyk-kojiro' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.0780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427558
PNG
(CHEMBL2322560)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H33N3O2/c1-18-14-22(32)15-19(2)23(18)17-25(29)28(33)31-27-12-13-30-26-11-10-21(16-24(26)27)9-8-20-6-4-3-5-7-20/h3-7,10-11,14-16,25,27,30,32H,8-9,12-13,17,29H2,1-2H3,(H,31,33)/t25-,27+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50071861
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-9...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O5S2/c1-28(2)23(24(30)35)33-26(37)21(15-17-6-4-3-5-7-17)31-27(38)22(16-39-12-13-40-28)32-25(36)20(29)14-18-8-10-19(34)11-9-18/h3-11,20-23,34H,12-16,29H2,1-2H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,37)/t20-,21-,22+,23+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor


Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50038405
PNG
((4R,7S,10R)-7-Benzyl-10-{[(2S,3R)-3-(4-hydroxy-phe...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21+,22+,23-/m1/s1
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0.660n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427557
PNG
(CHEMBL2322561)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.760n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.990n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor


Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50071860
PNG
(12-(2-Amino-3-phenyl-propionylamino)-9-benzyl-5,5-...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O4S2/c1-28(2)23(24(30)34)33-26(36)21(16-19-11-7-4-8-12-19)31-27(37)22(17-38-13-14-39-28)32-25(35)20(29)15-18-9-5-3-6-10-18/h3-12,20-23H,13-17,29H2,1-2H3,(H2,30,34)(H,31,37)(H,32,35)(H,33,36)/t20-,21-,22+,23+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor


Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427562
PNG
(CHEMBL2322566)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001608
PNG
(CHEMBL3237723)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C40H56N6O12S2/c1-19-11-23(48)12-20(2)24(19)13-25(41)34(53)44-27-18-59-9-10-60-39(3,4)32(45-38(56)40(46-35(27)54)14-21-7-5-6-8-22(21)15-40)36(55)43-26(33(42)52)17-57-37-31(51)30(50)29(49)28(16-47)58-37/h5-8,11-12,25-32,37,47-51H,9-10,13-18,41H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,56)(H,46,54)/t25-,26-,27+,28+,29+,30-,31+,32-,37+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001608
PNG
(CHEMBL3237723)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C40H56N6O12S2/c1-19-11-23(48)12-20(2)24(19)13-25(41)34(53)44-27-18-59-9-10-60-39(3,4)32(45-38(56)40(46-35(27)54)14-21-7-5-6-8-22(21)15-40)36(55)43-26(33(42)52)17-57-37-31(51)30(50)29(49)28(16-47)58-37/h5-8,11-12,25-32,37,47-51H,9-10,13-18,41H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,56)(H,46,54)/t25-,26-,27+,28+,29+,30-,31+,32-,37+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50038402
PNG
((4R,7S,10R)-7-Benzyl-10-{[(2S,3S)-3-(4-hydroxy-phe...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20-,21-,22-,23+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50038403
PNG
((4R,7S,10R)-7-Benzyl-10-[(R)-3-(4-hydroxy-phenyl)-...)
Show SMILES CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
Show InChI InChI=1S/C27H34N4O6S2/c1-27(2)22(26(36)37)31-24(34)20(14-16-7-5-4-6-8-16)29-25(35)21(15-38-39-27)30-23(33)19(28-3)13-17-9-11-18(32)12-10-17/h4-12,19-22,28,32H,13-15H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t19-,20+,21+,22-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427560
PNG
(CHEMBL2322564)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001589
PNG
(CHEMBL3237721)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C34H45N5O8S2/c1-18-11-22(41)12-19(2)23(18)13-24(35)28(42)37-26-17-48-9-10-49-33(3,4)27(30(44)36-25(16-40)31(45)46)38-32(47)34(39-29(26)43)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,40-41H,9-10,13-17,35H2,1-4H3,(H,36,44)(H,37,42)(H,38,47)(H,39,43)(H,45,46)/t24-,25-,26+,27-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427557
PNG
(CHEMBL2322561)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427563
PNG
(CHEMBL2322567)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29-/m0/s1
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8n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427558
PNG
(CHEMBL2322560)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H33N3O2/c1-18-14-22(32)15-19(2)23(18)17-25(29)28(33)31-27-12-13-30-26-11-10-21(16-24(26)27)9-8-20-6-4-3-5-7-20/h3-7,10-11,14-16,25,27,30,32H,8-9,12-13,17,29H2,1-2H3,(H,31,33)/t25-,27+/m0/s1
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8.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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9.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001589
PNG
(CHEMBL3237721)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C34H45N5O8S2/c1-18-11-22(41)12-19(2)23(18)13-24(35)28(42)37-26-17-48-9-10-49-33(3,4)27(30(44)36-25(16-40)31(45)46)38-32(47)34(39-29(26)43)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,40-41H,9-10,13-17,35H2,1-4H3,(H,36,44)(H,37,42)(H,38,47)(H,39,43)(H,45,46)/t24-,25-,26+,27-/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50038406
PNG
((4R,7S,10R)-10-[((R)-2-Amino-5-hydroxy-indane-2-ca...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@]2(N)Cc3ccc(O)cc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C27H32N4O6S2/c1-26(2)21(24(35)36)31-22(33)19(10-15-6-4-3-5-7-15)29-23(34)20(14-38-39-26)30-25(37)27(28)12-16-8-9-18(32)11-17(16)13-27/h3-9,11,19-21,32H,10,12-14,28H2,1-2H3,(H,29,34)(H,30,37)(H,31,33)(H,35,36)/t19-,20-,21+,27+/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427561
PNG
(CHEMBL2322565)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H33N3O2/c1-18-14-22(32)15-19(2)23(18)17-25(29)28(33)31-27-12-13-30-26-11-10-21(16-24(26)27)9-8-20-6-4-3-5-7-20/h3-7,10-11,14-16,25,27,30,32H,8-9,12-13,17,29H2,1-2H3,(H,31,33)/t25-,27-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50427557
PNG
(CHEMBL2322561)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50038404
PNG
((4R,7S,10R)-10-[((S)-2-Amino-6-hydroxy-1,2,3,4-tet...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@]2(N)CCc3cc(O)ccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-27(2)22(25(36)37)32-23(34)20(12-16-6-4-3-5-7-16)30-24(35)21(15-39-40-27)31-26(38)28(29)11-10-17-13-19(33)9-8-18(17)14-28/h3-9,13,20-22,33H,10-12,14-15,29H2,1-2H3,(H,30,35)(H,31,38)(H,32,34)(H,36,37)/t20-,21-,22+,28-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50453515
PNG
(CHEMBL2111933)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@]2(N)CCc3cc(O)ccc3C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-27(2)22(25(36)37)32-23(34)20(12-16-6-4-3-5-7-16)30-24(35)21(15-39-40-27)31-26(38)28(29)11-10-17-13-19(33)9-8-18(17)14-28/h3-9,13,20-22,33H,10-12,14-15,29H2,1-2H3,(H,30,35)(H,31,38)(H,32,34)(H,36,37)/t20-,21-,22+,28+/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50427558
PNG
(CHEMBL2322560)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H33N3O2/c1-18-14-22(32)15-19(2)23(18)17-25(29)28(33)31-27-12-13-30-26-11-10-21(16-24(26)27)9-8-20-6-4-3-5-7-20/h3-7,10-11,14-16,25,27,30,32H,8-9,12-13,17,29H2,1-2H3,(H,31,33)/t25-,27+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50071861
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-9...)
Show SMILES CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H37N5O5S2/c1-28(2)23(24(30)35)33-26(37)21(15-17-6-4-3-5-7-17)31-27(38)22(16-39-12-13-40-28)32-25(36)20(29)14-18-8-10-19(34)11-9-18/h3-11,20-23,34H,12-16,29H2,1-2H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,37)/t20-,21-,22+,23+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50071862
PNG
(10-(2-Amino-3-phenyl-propionylamino)-7-benzyl-3,3-...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O |r|
Show InChI InChI=1S/C26H32N4O5S2/c1-26(2)21(25(34)35)30-23(32)19(14-17-11-7-4-8-12-17)28-24(33)20(15-36-37-26)29-22(31)18(27)13-16-9-5-3-6-10-16/h3-12,18-21H,13-15,27H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)(H,34,35)/t18-,19-,20+,21+/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor of guinea pig brain membrane


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor


Bioorg Med Chem Lett 8: 2681-4 (1999)


BindingDB Entry DOI: 10.7270/Q24T6JWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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54n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427560
PNG
(CHEMBL2322564)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26-/m0/s1
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56n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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61n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427562
PNG
(CHEMBL2322566)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30-/m0/s1
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66n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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68n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50453517
PNG
(CHEMBL2111934)
Show SMILES [H][C@]1(NCC[C@@H]1c1ccc(O)cc1)C(=O)N[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21+,22-,23-/m1/s1
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84n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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93n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50038405
PNG
((4R,7S,10R)-7-Benzyl-10-{[(2S,3R)-3-(4-hydroxy-phe...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21+,22+,23-/m1/s1
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110n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor of guinea pig brain membrane


J Med Chem 37: 4371-83 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ3660
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50427563
PNG
(CHEMBL2322567)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29-/m0/s1
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Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
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