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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'agius' and Initial = 'mp'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495228
PNG
(CHEMBL3104101)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-9,16-17,24,29H,10-15,18,26H2,1-2H3/b7-6+/t24-/m0/s1
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0.290n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495230
PNG
(CHEMBL3104102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C/Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-9,16-17,24,29H,10-15,18,26H2,1-2H3/b7-6-/t24-/m0/s1
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0.300n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495227
PNG
(CHEMBL3104103)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C26H37N3O2/c1-20-17-23(30)18-21(2)24(20)19-25(27)26(31)29-15-13-28(14-16-29)12-8-4-7-11-22-9-5-3-6-10-22/h3,5-6,9-10,17-18,25,30H,4,7-8,11-16,19,27H2,1-2H3/t25-/m0/s1
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0.420n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495232
PNG
(CHEMBL3104100)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C25H35N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,16-17,24,29H,6-7,10-15,18,26H2,1-2H3/t24-/m0/s1
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0.450n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495235
PNG
(CHEMBL3104099)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-22-19-26(34)20-23(2)28(22)21-29(31)30(35)33-17-15-32(16-18-33)14-13-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19-20,27,29,34H,13-18,21,31H2,1-2H3/t29-/m0/s1
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1.10n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495233
PNG
(CHEMBL3104109)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2cccc3ccccc23)CC1
Show InChI InChI=1S/C28H35N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-5,7-9,11,17-18,27,32H,6,10,12-16,19,29H2,1-2H3/t27-/m0/s1
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1.10n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495234
PNG
(CHEMBL3104106)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H30N2O2/c1-16-12-20(26)13-17(2)21(16)15-22(24)23(27)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,19,22,26H,8-11,14-15,24H2,1-2H3/t22-/m0/s1
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1.40n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495237
PNG
(CHEMBL3104107)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(CCCc2ccccc2)CC1
Show InChI InChI=1S/C25H34N2O2/c1-18-15-22(28)16-19(2)23(18)17-24(26)25(29)27-13-11-21(12-14-27)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-16,21,24,28H,6,9-14,17,26H2,1-2H3/t24-/m0/s1
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2n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495231
PNG
(CHEMBL3104108)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-18-15-21(28)16-19(2)22(18)17-23(25)24(29)27-13-11-26(12-14-27)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-16,23,28H,6,9-14,17,25H2,1-2H3/t23-/m0/s1
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3.80n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495236
PNG
(CHEMBL3104110)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1
Show InChI InChI=1S/C28H33N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-11,17-18,27,32H,12-16,19,29H2,1-2H3/b10-6+/t27-/m0/s1
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6.40n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495233
PNG
(CHEMBL3104109)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2cccc3ccccc23)CC1
Show InChI InChI=1S/C28H35N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-5,7-9,11,17-18,27,32H,6,10,12-16,19,29H2,1-2H3/t27-/m0/s1
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6.60n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495232
PNG
(CHEMBL3104100)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C25H35N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,16-17,24,29H,6-7,10-15,18,26H2,1-2H3/t24-/m0/s1
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6.60n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495227
PNG
(CHEMBL3104103)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C26H37N3O2/c1-20-17-23(30)18-21(2)24(20)19-25(27)26(31)29-15-13-28(14-16-29)12-8-4-7-11-22-9-5-3-6-10-22/h3,5-6,9-10,17-18,25,30H,4,7-8,11-16,19,27H2,1-2H3/t25-/m0/s1
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6.90n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495234
PNG
(CHEMBL3104106)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H30N2O2/c1-16-12-20(26)13-17(2)21(16)15-22(24)23(27)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,19,22,26H,8-11,14-15,24H2,1-2H3/t22-/m0/s1
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7.80n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495236
PNG
(CHEMBL3104110)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1
Show InChI InChI=1S/C28H33N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-11,17-18,27,32H,12-16,19,29H2,1-2H3/b10-6+/t27-/m0/s1
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11n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495237
PNG
(CHEMBL3104107)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(CCCc2ccccc2)CC1
Show InChI InChI=1S/C25H34N2O2/c1-18-15-22(28)16-19(2)23(18)17-24(26)25(29)27-13-11-21(12-14-27)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-16,21,24,28H,6,9-14,17,26H2,1-2H3/t24-/m0/s1
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12n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495238
PNG
(CHEMBL3104105)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H30N2O2/c1-18-14-22(30)15-19(2)24(18)17-25(28)27(31)29-13-12-21(16-20-8-4-3-5-9-20)23-10-6-7-11-26(23)29/h3-11,14-15,21,25,30H,12-13,16-17,28H2,1-2H3/t21?,25-/m0/s1
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14n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495235
PNG
(CHEMBL3104099)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-22-19-26(34)20-23(2)28(22)21-29(31)30(35)33-17-15-32(16-18-33)14-13-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19-20,27,29,34H,13-18,21,31H2,1-2H3/t29-/m0/s1
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21n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495228
PNG
(CHEMBL3104101)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-9,16-17,24,29H,10-15,18,26H2,1-2H3/b7-6+/t24-/m0/s1
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23n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50495229
PNG
(CHEMBL3104104)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-13-10-16(23)11-14(2)17(13)12-18(21)20(24)22-9-5-7-15-6-3-4-8-19(15)22/h3-4,6,8,10-11,18,23H,5,7,9,12,21H2,1-2H3/t18-/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495230
PNG
(CHEMBL3104102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C/Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-9,16-17,24,29H,10-15,18,26H2,1-2H3/b7-6-/t24-/m0/s1
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28n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495238
PNG
(CHEMBL3104105)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H30N2O2/c1-18-14-22(30)15-19(2)24(18)17-25(28)27(31)29-13-12-21(16-20-8-4-3-5-9-20)23-10-6-7-11-26(23)29/h3-11,14-15,21,25,30H,12-13,16-17,28H2,1-2H3/t21?,25-/m0/s1
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29n/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


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50495229
PNG
(CHEMBL3104104)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-13-10-16(23)11-14(2)17(13)12-18(21)20(24)22-9-5-7-15-6-3-4-8-19(15)22/h3-4,6,8,10-11,18,23H,5,7,9,12,21H2,1-2H3/t18-/m0/s1
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33n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50495231
PNG
(CHEMBL3104108)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-18-15-21(28)16-19(2)22(18)17-23(25)24(29)27-13-11-26(12-14-27)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-16,23,28H,6,9-14,17,25H2,1-2H3/t23-/m0/s1
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36n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495229
PNG
(CHEMBL3104104)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C20H24N2O2/c1-13-10-16(23)11-14(2)17(13)12-18(21)20(24)22-9-5-7-15-6-3-4-8-19(15)22/h3-4,6,8,10-11,18,23H,5,7,9,12,21H2,1-2H3/t18-/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor (unknown origin)


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495227
PNG
(CHEMBL3104103)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C26H37N3O2/c1-20-17-23(30)18-21(2)24(20)19-25(27)26(31)29-15-13-28(14-16-29)12-8-4-7-11-22-9-5-3-6-10-22/h3,5-6,9-10,17-18,25,30H,4,7-8,11-16,19,27H2,1-2H3/t25-/m0/s1
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39n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495230
PNG
(CHEMBL3104102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C/Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-9,16-17,24,29H,10-15,18,26H2,1-2H3/b7-6-/t24-/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 kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495232
PNG
(CHEMBL3104100)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C25H35N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,16-17,24,29H,6-7,10-15,18,26H2,1-2H3/t24-/m0/s1
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78n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495233
PNG
(CHEMBL3104109)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2cccc3ccccc23)CC1
Show InChI InChI=1S/C28H35N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-5,7-9,11,17-18,27,32H,6,10,12-16,19,29H2,1-2H3/t27-/m0/s1
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78n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495228
PNG
(CHEMBL3104101)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\Cc2ccccc2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-19-16-22(29)17-20(2)23(19)18-24(26)25(30)28-14-12-27(13-15-28)11-7-6-10-21-8-4-3-5-9-21/h3-9,16-17,24,29H,10-15,18,26H2,1-2H3/b7-6+/t24-/m0/s1
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89n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495237
PNG
(CHEMBL3104107)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(CCCc2ccccc2)CC1
Show InChI InChI=1S/C25H34N2O2/c1-18-15-22(28)16-19(2)23(18)17-24(26)25(29)27-13-11-21(12-14-27)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-16,21,24,28H,6,9-14,17,26H2,1-2H3/t24-/m0/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]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495234
PNG
(CHEMBL3104106)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H30N2O2/c1-16-12-20(26)13-17(2)21(16)15-22(24)23(27)25-10-8-19(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,19,22,26H,8-11,14-15,24H2,1-2H3/t22-/m0/s1
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140n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495235
PNG
(CHEMBL3104099)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-22-19-26(34)20-23(2)28(22)21-29(31)30(35)33-17-15-32(16-18-33)14-13-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19-20,27,29,34H,13-18,21,31H2,1-2H3/t29-/m0/s1
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150n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495231
PNG
(CHEMBL3104108)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-18-15-21(28)16-19(2)22(18)17-23(25)24(29)27-13-11-26(12-14-27)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-16,23,28H,6,9-14,17,25H2,1-2H3/t23-/m0/s1
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250n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495238
PNG
(CHEMBL3104105)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H30N2O2/c1-18-14-22(30)15-19(2)24(18)17-25(28)27(31)29-13-12-21(16-20-8-4-3-5-9-20)23-10-6-7-11-26(23)29/h3-11,14-15,21,25,30H,12-13,16-17,28H2,1-2H3/t21?,25-/m0/s1
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310n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50495236
PNG
(CHEMBL3104110)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1
Show InChI InChI=1S/C28H33N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-11,17-18,27,32H,12-16,19,29H2,1-2H3/b10-6+/t27-/m0/s1
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330n/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...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007789
PNG
(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50007789
PNG
(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP21 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50007791
PNG
(CHEMBL3233815 | med.21724, Compound 168)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP21 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50007788
PNG
(CHEMBL3233809 | med.21724, Compound 167)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a>3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP21 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50007790
PNG
(CHEMBL3233814 | med.21724, Compound 169)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>3.10E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP21 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007791
PNG
(CHEMBL3233815 | med.21724, Compound 168)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007792
PNG
(CHEMBL3233808)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(NC(C)=O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O2/c1-19(25-9-5-7-22-6-3-4-8-26(22)25)30-16-14-23(15-17-30)27(32)28-18-21-10-12-24(13-11-21)29-20(2)31/h3-13,19,23H,14-18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007793
PNG
(CHEMBL3233813)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(F)c(F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C25H26F2N2O/c1-17(21-8-4-6-19-5-2-3-7-22(19)21)29-13-11-20(12-14-29)25(30)28-16-18-9-10-23(26)24(27)15-18/h2-10,15,17,20H,11-14,16H2,1H3,(H,28,30)/t17-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007788
PNG
(CHEMBL3233809 | med.21724, Compound 167)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human coronavirus NL63)
BDBM50007794
PNG
(CHEMBL3233822)
Show SMILES COc1cc(CNC(=O)C2CCN(CC2)[C@H](C)c2cccc3ccccc23)ccn1
Show InChI InChI=1S/C25H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)28-14-11-21(12-15-28)25(29)27-17-19-10-13-26-24(16-19)30-2/h3-10,13,16,18,21H,11-12,14-15,17H2,1-2H3,(H,27,29)/t18-/m1/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC rele...


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 8


(Homo sapiens (Human))
BDBM50007791
PNG
(CHEMBL3233815 | med.21724, Compound 168)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP8 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 20


(Homo sapiens (Human))
BDBM50007790
PNG
(CHEMBL3233814 | med.21724, Compound 169)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP20 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 20


(Homo sapiens (Human))
BDBM50007791
PNG
(CHEMBL3233815 | med.21724, Compound 168)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP20 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 20


(Homo sapiens (Human))
BDBM50007788
PNG
(CHEMBL3233809 | med.21724, Compound 167)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human USP20 using Ub-rhodamine 110 as substrate


J Med Chem 57: 2393-412 (2014)


Article DOI: 10.1021/jm401712t
BindingDB Entry DOI: 10.7270/Q2KK9DBM
More data for this
Ligand-Target Pair
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