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Patent code US10577360

Compile Data Set for Download or QSAR

Found 308 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432272
PNG
(N-(1-benzylpiperidin-4-yl)-N-(1-(4-fluorophenyl)-1...)
Show SMILES Fc1ccc(cc1)-n1cc(nn1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C25H24FN5OS/c26-20-8-10-21(11-9-20)30-18-24(27-28-30)31(25(32)23-7-4-16-33-23)22-12-14-29(15-13-22)17-19-5-2-1-3-6-19/h1-11,16,18,22H,12-15,17H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432254
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(3-cyanophenyl)-1H...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1cccc(c1)C#N)c1cccs1
Show InChI InChI=1S/C27H25N5OS/c28-19-22-8-4-9-24(18-22)31-16-13-26(29-31)32(27(33)25-10-5-17-34-25)23-11-14-30(15-12-23)20-21-6-2-1-3-7-21/h1-10,13,16-18,23H,11-12,14-15,20H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432150
PNG
(N-(1-Phenethylpiperidin-4-yl)-N-(1-phenyl-1H-pyraz...)
Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1ccn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C27H28N4OS/c32-27(25-12-7-21-33-25)31(26-16-20-30(28-26)23-10-5-2-6-11-23)24-14-18-29(19-15-24)17-13-22-8-3-1-4-9-22/h1-12,16,20-21,24H,13-15,17-19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM432250
PNG
(N-{1-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-...)
Show SMILES CN1CCC(CC1)N(C(=O)c1cccs1)c1ccn(n1)-c1cccc(c1)-c1nnc(C)o1
Show InChI InChI=1S/C23H24N6O2S/c1-16-24-25-22(31-16)17-5-3-6-19(15-17)28-13-10-21(26-28)29(18-8-11-27(2)12-9-18)23(30)20-7-4-14-32-20/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3
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ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432134
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-1...)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C26H25FN4OS/c27-21-8-10-22(11-9-21)30-17-14-25(28-30)31(26(32)24-7-4-18-33-24)23-12-15-29(16-13-23)19-20-5-2-1-3-6-20/h1-11,14,17-18,23H,12-13,15-16,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432135
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-1...)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccco1
Show InChI InChI=1S/C26H25FN4O2/c27-21-8-10-22(11-9-21)30-17-14-25(28-30)31(26(32)24-7-4-18-33-24)23-12-15-29(16-13-23)19-20-5-2-1-3-6-20/h1-11,14,17-18,23H,12-13,15-16,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432289
PNG
(N-{(1r,4r)-4-[Benzyl(methyl)amino]cyclohexyl}-3-hy...)
Show SMILES CN(Cc1ccccc1)[C@H]1CC[C@@H](CC1)N(C(=O)c1cccc(O)c1)c1ccn(n1)-c1cccc(c1)-c1nnc(C)o1
Show InChI InChI=1S/C33H34N6O3/c1-23-34-35-32(42-23)25-10-6-12-29(20-25)38-19-18-31(36-38)39(33(41)26-11-7-13-30(40)21-26)28-16-14-27(15-17-28)37(2)22-24-8-4-3-5-9-24/h3-13,18-21,27-28,40H,14-17,22H2,1-2H3/t27-,28-
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432190
PNG
(N-(2-Benzylpiperidin-4-yl)-N-(1-phenyl-1H-pyrazol-...)
Show SMILES O=C(N(C1CCNC(Cc2ccccc2)C1)c1ccn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C26H26N4OS/c31-26(24-12-7-17-32-24)30(25-14-16-29(28-25)22-10-5-2-6-11-22)23-13-15-27-21(19-23)18-20-8-3-1-4-9-20/h1-12,14,16-17,21,23,27H,13,15,18-19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432198
PNG
(N-{3-[Benzyl(methyl)amino]propyl}-N-(1-phenyl-1H-p...)
Show SMILES CN(CCCN(C(=O)c1cccs1)c1ccn(n1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C25H26N4OS/c1-27(20-21-10-4-2-5-11-21)16-9-17-28(25(30)23-14-8-19-31-23)24-15-18-29(26-24)22-12-6-3-7-13-22/h2-8,10-15,18-19H,9,16-17,20H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432219
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(3-fluoropyridin-4...)
Show SMILES Fc1cnccc1-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C25H24FN5OS/c26-21-17-27-12-8-22(21)30-15-11-24(28-30)31(25(32)23-7-4-16-33-23)20-9-13-29(14-10-20)18-19-5-2-1-3-6-19/h1-8,11-12,15-17,20H,9-10,13-14,18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432220
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(3-chloropyridin-4...)
Show SMILES Clc1cnccc1-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C25H24ClN5OS/c26-21-17-27-12-8-22(21)30-15-11-24(28-30)31(25(32)23-7-4-16-33-23)20-9-13-29(14-10-20)18-19-5-2-1-3-6-19/h1-8,11-12,15-17,20H,9-10,13-14,18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432290
PNG
(N-{(1s,4s)-4-[Benzyl(methyl)amino]cyclohexyl}-3-hy...)
Show SMILES CN(Cc1ccccc1)[C@H]1CC[C@H](CC1)N(C(=O)c1cccc(O)c1)c1ccn(n1)-c1cccc(c1)-c1nnc(C)o1
Show InChI InChI=1S/C33H34N6O3/c1-23-34-35-32(42-23)25-10-6-12-29(20-25)38-19-18-31(36-38)39(33(41)26-11-7-13-30(40)21-26)28-16-14-27(15-17-28)37(2)22-24-8-4-3-5-9-24/h3-13,18-21,27-28,40H,14-17,22H2,1-2H3/t27-,28+
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432146
PNG
(N-(1-Benzylpiperidin-4-yl)-N-(6-phenylpyrazin-2-yl...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1cncc(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C27H26N4OS/c32-27(25-12-7-17-33-25)31(26-19-28-18-24(29-26)22-10-5-2-6-11-22)23-13-15-30(16-14-23)20-21-8-3-1-4-9-21/h1-12,17-19,23H,13-16,20H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432185
PNG
(N-(1-phenethylpiperidin-4-yl)-N-(1-phenyl-1H-1,2,4...)
Show SMILES O=C(N(C1CCN(CCc2ccccc2)CC1)c1ncn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C26H27N5OS/c32-25(24-12-7-19-33-24)31(26-27-20-30(28-26)22-10-5-2-6-11-22)23-14-17-29(18-15-23)16-13-21-8-3-1-4-9-21/h1-12,19-20,23H,13-18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432215
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(pyridin-4-yl)-1H-...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccncc1)c1cccs1
Show InChI InChI=1S/C25H25N5OS/c31-25(23-7-4-18-32-23)30(24-12-17-29(27-24)21-8-13-26-14-9-21)22-10-15-28(16-11-22)19-20-5-2-1-3-6-20/h1-9,12-14,17-18,22H,10-11,15-16,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432248
PNG
(3-Hydroxy-N-[1-(3-methoxyphenyl)-1H-pyrazol-3-yl]-...)
Show SMILES COc1cccc(c1)-n1ccc(n1)N(C1CCN(C)CC1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C23H26N4O3/c1-25-12-9-18(10-13-25)27(23(29)17-5-3-7-20(28)15-17)22-11-14-26(24-22)19-6-4-8-21(16-19)30-2/h3-8,11,14-16,18,28H,9-10,12-13H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432273
PNG
(N-(1-benzylpiperidin-4-yl)-N-(1-phenyl-1H-1,2,3-tr...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1cn(nn1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C25H25N5OS/c31-25(23-12-7-17-32-23)30(24-19-29(27-26-24)21-10-5-2-6-11-21)22-13-15-28(16-14-22)18-20-8-3-1-4-9-20/h1-12,17,19,22H,13-16,18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432152
PNG
(N-(1-Benzylpiperidin-4-yl)-N-(1-phenyl-1H-pyrazol-...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccccc1)c1ccco1
Show InChI InChI=1S/C26H26N4O2/c31-26(24-12-7-19-32-24)30(25-15-18-29(27-25)22-10-5-2-6-11-22)23-13-16-28(17-14-23)20-21-8-3-1-4-9-21/h1-12,15,18-19,23H,13-14,16-17,20H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432187
PNG
(N-(1-Benzylpiperidin-4-yl)-3-hydroxy-N-{1-[3-(5-me...)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C31H30N6O3/c1-22-32-33-30(40-22)24-9-5-11-27(19-24)36-18-15-29(34-36)37(31(39)25-10-6-12-28(38)20-25)26-13-16-35(17-14-26)21-23-7-3-2-4-8-23/h2-12,15,18-20,26,38H,13-14,16-17,21H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432191
PNG
(N-[2-(Benzylamino)ethyl]-N-(1-phenyl-1H-pyrazol-3-...)
Show SMILES O=C(N(CCNCc1ccccc1)c1ccn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C23H22N4OS/c28-23(21-12-7-17-29-21)26(16-14-24-18-19-8-3-1-4-9-19)22-13-15-27(25-22)20-10-5-2-6-11-20/h1-13,15,17,24H,14,16,18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432194
PNG
(N-(1-Isobutylpiperidin-4-yl)-N-(1-phenyl-1H-pyrazo...)
Show SMILES CC(C)CN1CCC(CC1)N(C(=O)c1cccs1)c1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C23H28N4OS/c1-18(2)17-25-13-10-20(11-14-25)27(23(28)21-9-6-16-29-21)22-12-15-26(24-22)19-7-4-3-5-8-19/h3-9,12,15-16,18,20H,10-11,13-14,17H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432151
PNG
(N-(1-Benzylpiperidin-4-yl)-N-(1-phenyl-1H-pyrazol-...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C26H26N4OS/c31-26(24-12-7-19-32-24)30(25-15-18-29(27-25)22-10-5-2-6-11-22)23-13-16-28(17-14-23)20-21-8-3-1-4-9-21/h1-12,15,18-19,23H,13-14,16-17,20H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432193
PNG
(N-[2-(Methylamino)ethyl]-N-(1-phenyl-1H-pyrazol-3-...)
Show SMILES CNCCN(C(=O)c1cccs1)c1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C17H18N4OS/c1-18-10-12-20(17(22)15-8-5-13-23-15)16-9-11-21(19-16)14-6-3-2-4-7-14/h2-9,11,13,18H,10,12H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432197
PNG
(N-{2-[Benzyl(methyl)amino]ethyl}-N-(1-phenyl-1H-py...)
Show SMILES CN(CCN(C(=O)c1cccs1)c1ccn(n1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H24N4OS/c1-26(19-20-9-4-2-5-10-20)16-17-27(24(29)22-13-8-18-30-22)23-14-15-28(25-23)21-11-6-3-7-12-21/h2-15,18H,16-17,19H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432216
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(pyridin-3-yl)-1H-...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1cccnc1)c1cccs1
Show InChI InChI=1S/C25H25N5OS/c31-25(23-9-5-17-32-23)30(24-12-16-29(27-24)22-8-4-13-26-18-22)21-10-14-28(15-11-21)19-20-6-2-1-3-7-20/h1-9,12-13,16-18,21H,10-11,14-15,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432253
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-1H...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccc(cc1)C#N)c1cccs1
Show InChI InChI=1S/C27H25N5OS/c28-19-21-8-10-23(11-9-21)31-17-14-26(29-31)32(27(33)25-7-4-18-34-25)24-12-15-30(16-13-24)20-22-5-2-1-3-6-22/h1-11,14,17-18,24H,12-13,15-16,20H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432258
PNG
(N-[1-(3-Methoxyphenyl)-1H-pyrazol-3-yl]-N-[1-(pyri...)
Show SMILES COc1cccc(c1)-n1ccc(n1)N(C1CCN(Cc2ccccn2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C26H27N5O2S/c1-33-23-8-4-7-22(18-23)30-16-12-25(28-30)31(26(32)24-9-5-17-34-24)21-10-14-29(15-11-21)19-20-6-2-3-13-27-20/h2-9,12-13,16-18,21H,10-11,14-15,19H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432269
PNG
(N-[6-(4-Methoxyphenyl)pyrazin-2-yl]-N-(1-methylpip...)
Show SMILES COc1ccc(cc1)-c1cccc(n1)N(C1CCN(C)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C23H25N3O2S/c1-25-14-12-18(13-15-25)26(23(27)21-6-4-16-29-21)22-7-3-5-20(24-22)17-8-10-19(28-2)11-9-17/h3-11,16,18H,12-15H2,1-2H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432273
PNG
(N-(1-benzylpiperidin-4-yl)-N-(1-phenyl-1H-1,2,3-tr...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1cn(nn1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C25H25N5OS/c31-25(23-12-7-17-32-23)30(24-19-29(27-26-24)21-10-5-2-6-11-21)22-13-15-28(16-14-22)18-20-8-3-1-4-9-20/h1-12,17,19,22H,13-16,18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432142
PNG
(N-[1-(4-Fluorophenyl)-1H-pyrazol-3-yl]-N-(1-phenet...)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(CCc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C27H27FN4OS/c28-22-8-10-23(11-9-22)31-19-15-26(29-31)32(27(33)25-7-4-20-34-25)24-13-17-30(18-14-24)16-12-21-5-2-1-3-6-21/h1-11,15,19-20,24H,12-14,16-18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432143
PNG
(N-[1-(4-Fluorophenyl)-1H-pyrazol-3-yl]-N-(1-phenet...)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(CCc2ccccc2)CC1)C(=O)c1ccno1
Show InChI InChI=1S/C26H26FN5O2/c27-21-6-8-22(9-7-21)31-19-14-25(29-31)32(26(33)24-10-15-28-34-24)23-12-17-30(18-13-23)16-11-20-4-2-1-3-5-20/h1-10,14-15,19,23H,11-13,16-18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432153
PNG
(N-(1-Benzylpiperidin-4-yl)-N-(1-phenyl-1H-pyrazol-...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccccc1)c1nccs1
Show InChI InChI=1S/C25H25N5OS/c31-25(24-26-14-18-32-24)30(23-13-17-29(27-23)21-9-5-2-6-10-21)22-11-15-28(16-12-22)19-20-7-3-1-4-8-20/h1-10,13-14,17-18,22H,11-12,15-16,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432217
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(pyridin-2-yl)-1H-...)
Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccccn1)c1cccs1
Show InChI InChI=1S/C25H25N5OS/c31-25(22-9-6-18-32-22)30(24-13-17-29(27-24)23-10-4-5-14-26-23)21-11-15-28(16-12-21)19-20-7-2-1-3-8-20/h1-10,13-14,17-18,21H,11-12,15-16,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432256
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(3-fluorophenyl)-1...)
Show SMILES Fc1cccc(c1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C26H25FN4OS/c27-21-8-4-9-23(18-21)30-16-13-25(28-30)31(26(32)24-10-5-17-33-24)22-11-14-29(15-12-22)19-20-6-2-1-3-7-20/h1-10,13,16-18,22H,11-12,14-15,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432288
PNG
(N-{(1s,4s)-4-[Benzyl(methyl)amino]cyclohexyl}-N-{1...)
Show SMILES CN(Cc1ccccc1)[C@H]1CC[C@H](CC1)N(C(=O)c1cccs1)c1ccn(n1)-c1cccc(c1)-c1nnc(C)o1
Show InChI InChI=1S/C31H32N6O2S/c1-22-32-33-30(39-22)24-10-6-11-27(20-24)36-18-17-29(34-36)37(31(38)28-12-7-19-40-28)26-15-13-25(14-16-26)35(2)21-23-8-4-3-5-9-23/h3-12,17-20,25-26H,13-16,21H2,1-2H3/t25-,26+
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432137
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-1...)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccoc1
Show InChI InChI=1S/C26H25FN4O2/c27-22-6-8-23(9-7-22)30-16-12-25(28-30)31(26(32)21-13-17-33-19-21)24-10-14-29(15-11-24)18-20-4-2-1-3-5-20/h1-9,12-13,16-17,19,24H,10-11,14-15,18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432138
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-1...)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1nccs1
Show InChI InChI=1S/C25H24FN5OS/c26-20-6-8-21(9-7-20)30-16-12-23(28-30)31(25(32)24-27-13-17-33-24)22-10-14-29(15-11-22)18-19-4-2-1-3-5-19/h1-9,12-13,16-17,22H,10-11,14-15,18H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432139
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-1...)
Show SMILES Cn1cccc1C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H28FN5O/c1-30-16-5-8-25(30)27(34)33(26-15-19-32(29-26)23-11-9-22(28)10-12-23)24-13-17-31(18-14-24)20-21-6-3-2-4-7-21/h2-12,15-16,19,24H,13-14,17-18,20H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432147
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[6-(4-ethoxyphenyl)py...)
Show SMILES CCOc1ccc(cc1)-c1cncc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C29H30N4O2S/c1-2-35-25-12-10-23(11-13-25)26-19-30-20-28(31-26)33(29(34)27-9-6-18-36-27)24-14-16-32(17-15-24)21-22-7-4-3-5-8-22/h3-13,18-20,24H,2,14-17,21H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432148
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-ethoxyphenyl)-1...)
Show SMILES CCOc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C28H30N4O2S/c1-2-34-25-12-10-23(11-13-25)31-19-16-27(29-31)32(28(33)26-9-6-20-35-26)24-14-17-30(18-15-24)21-22-7-4-3-5-8-22/h3-13,16,19-20,24H,2,14-15,17-18,21H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432149
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-ethoxyphenyl)-1...)
Show SMILES CCOc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1nccs1
Show InChI InChI=1S/C27H29N5O2S/c1-2-34-24-10-8-22(9-11-24)31-18-14-25(29-31)32(27(33)26-28-15-19-35-26)23-12-16-30(17-13-23)20-21-6-4-3-5-7-21/h3-11,14-15,18-19,23H,2,12-13,16-17,20H2,1H3
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432192
PNG
(N-[3-(Benzylamino)propyl]-N-(1-phenyl-1H-pyrazol-3...)
Show SMILES O=C(N(CCCNCc1ccccc1)c1ccn(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C24H24N4OS/c29-24(22-13-7-18-30-22)27(16-8-15-25-19-20-9-3-1-4-10-20)23-14-17-28(26-23)21-11-5-2-6-12-21/h1-7,9-14,17-18,25H,8,15-16,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432145
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[6-(4-fluorophenyl)py...)
Show SMILES Fc1ccc(cc1)-c1cncc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C27H25FN4OS/c28-22-10-8-21(9-11-22)24-17-29-18-26(30-24)32(27(33)25-7-4-16-34-25)23-12-14-31(15-13-23)19-20-5-2-1-3-6-20/h1-11,16-18,23H,12-15,19H2
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<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432156
PNG
(N-(1-Benzylpiperidin-4-yl)-5-fluoro-N-(1-phenyl-1H...)
Show SMILES Fc1ccc(s1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C26H25FN4OS/c27-24-12-11-23(33-24)26(32)31(25-15-18-30(28-25)21-9-5-2-6-10-21)22-13-16-29(17-14-22)19-20-7-3-1-4-8-20/h1-12,15,18,22H,13-14,16-17,19H2
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300n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM432222
PNG
(N-{1-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-...)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-n1ccc(n1)N(C1CCN(Cc2ccccn2)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C28H27N7O2S/c1-20-30-31-27(37-20)21-6-4-8-24(18-21)34-16-12-26(32-34)35(28(36)25-9-5-17-38-25)23-10-14-33(15-11-23)19-22-7-2-3-13-29-22/h2-9,12-13,16-18,23H,10-11,14-15,19H2,1H3
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300n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432207
PNG
(N-(1-Methylpiperidin-4-yl)-N-(1-pyridin-2-yl-1H-py...)
Show SMILES CN1CCC(CC1)N(C(=O)c1cccs1)c1ccn(n1)-c1ccccn1
Show InChI InChI=1S/C19H21N5OS/c1-22-11-7-15(8-12-22)24(19(25)16-5-4-14-26-16)18-9-13-23(21-18)17-6-2-3-10-20-17/h2-6,9-10,13-15H,7-8,11-12H2,1H3
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300n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432224
PNG
(N-[1-(3-Ethoxyphenyl)-1H-pyrazol-3-yl]-N-(1-methyl...)
Show SMILES CCOc1cccc(c1)-n1ccc(n1)N(C1CCN(C)CC1)C(=O)c1cccs1
Show InChI InChI=1S/C22H26N4O2S/c1-3-28-19-7-4-6-18(16-19)25-14-11-21(23-25)26(17-9-12-24(2)13-10-17)22(27)20-8-5-15-29-20/h4-8,11,14-17H,3,9-10,12-13H2,1-2H3
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300n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432225
PNG
(N-[1-(4-Cyanophenyl)-1H-pyrazol-3-yl]-N-(1-methylp...)
Show SMILES CN1CCC(CC1)N(C(=O)c1cccs1)c1ccn(n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H21N5OS/c1-24-11-8-18(9-12-24)26(21(27)19-3-2-14-28-19)20-10-13-25(23-20)17-6-4-16(15-22)5-7-17/h2-7,10,13-14,18H,8-9,11-12H2,1H3
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300n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432136
PNG
(N-(1-Benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-1...)
Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccno1
Show InChI InChI=1S/C25H24FN5O2/c26-20-6-8-21(9-7-20)30-17-13-24(28-30)31(25(32)23-10-14-27-33-23)22-11-15-29(16-12-22)18-19-4-2-1-3-5-19/h1-10,13-14,17,22H,11-12,15-16,18H2
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300n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM432157
PNG
(N-(1-Benzylpiperidin-4-yl)-5-chloro-N-(1-phenyl-1H...)
Show SMILES Clc1ccc(s1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C26H25ClN4OS/c27-24-12-11-23(33-24)26(32)31(25-15-18-30(28-25)21-9-5-2-6-10-21)22-13-16-29(17-14-22)19-20-7-3-1-4-8-20/h1-12,15,18,22H,13-14,16-17,19H2
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300n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS, S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...


US Patent US10577360 (2020)


BindingDB Entry DOI: 10.7270/Q2MC92DM
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%