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PubMed code 24641190

Compile data set for download or QSAR
Found 16 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
Nociceptin/mu 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
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(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
More data for this
Ligand-Target Pair
Nociceptin/mu 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
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(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
More data for this
Ligand-Target Pair
Nociceptin/mu 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
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(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
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(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
More data for this
Ligand-Target Pair
Nociceptin/mu 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
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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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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420n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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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776n/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
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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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7.10E+3n/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
More data for this
Ligand-Target Pair
Nociceptin/mu 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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n/an/an/an/a 35n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by GF/C filters


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
More data for this
Ligand-Target Pair
Nociceptin/mu 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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n/an/an/an/a 3.40n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by GF/C filters


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
More data for this
Ligand-Target Pair
Nociceptin/mu 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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Article
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n/an/an/an/a 37n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by GF/C filters


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
More data for this
Ligand-Target Pair
Nociceptin/mu 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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Article
PubMed
n/an/an/an/a 4.70n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by GF/C filters


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%