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Compile Data Set for Download or QSAR

Found 7193 hits with Last Name = 'xu' and Initial = 'q'   
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))
BDBM50463297
PNG
(CHEMBL4246433)
Show SMILES COc1ccc(cc1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463294
PNG
(CHEMBL4249256)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1C(=O)c1ccccc1
Show InChI InChI=1S/C31H33NO4/c1-34-23-11-10-21-16-24-29-12-13-31(35-2,22(17-29)26(33)20-6-4-3-5-7-20)28-30(29,25(21)27(23)36-28)14-15-32(24)18-19-8-9-19/h3-7,10-13,19,22,24,28H,8-9,14-18H2,1-2H3/t22-,24-,28-,29-,30+,31-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27427
PNG
(8-methyl-11-thia-9,14,16-triazatetracyclo[8.7.0.0^...)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c2CCCCc12
Show InChI InChI=1S/C14H14N4S/c1-7-8-4-2-3-5-9(8)10-11-12(19-14(10)18-7)13(15)17-6-16-11/h6H,2-5H2,1H3,(H2,15,16,17)
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0.5 -55.2 5n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463297
PNG
(CHEMBL4246433)
Show SMILES COc1ccc(cc1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27428
PNG
(12-ethyl-11,13-dimethyl-8-thia-3,5,10-triazatricyc...)
Show SMILES CCc1c(C)nc2sc3c(N)ncnc3c2c1C
Show InChI InChI=1S/C13H14N4S/c1-4-8-6(2)9-10-11(12(14)16-5-15-10)18-13(9)17-7(8)3/h5H,4H2,1-3H3,(H2,14,15,16)
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1 -53.4 10n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27430
PNG
(11,13-dimethyl-12-(prop-2-en-1-yl)-8-thia-3,5,10-t...)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c(C)c1CC=C
Show InChI InChI=1S/C14H14N4S/c1-4-5-9-7(2)10-11-12(13(15)17-6-16-11)19-14(10)18-8(9)3/h4,6H,1,5H2,2-3H3,(H2,15,16,17)
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2 -51.6 20n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27429
PNG
(9-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.0^...)
Show SMILES Cc1c2CCCCc2nc2sc3c(N)ncnc3c12
Show InChI InChI=1S/C14H14N4S/c1-7-8-4-2-3-5-9(8)18-14-10(7)11-12(19-14)13(15)17-6-16-11/h6H,2-5H2,1H3,(H2,15,16,17)
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2 -51.6 20n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463293
PNG
(CHEMBL4242847)
Show SMILES COc1cccc(c1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463284
PNG
(CHEMBL4245818)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)CO)OC
Show InChI InChI=1S/C26H35NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,16,19,22,28H,4-5,8-15H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27431
PNG
(7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.0^...)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c2CCCc12
Show InChI InChI=1S/C13H12N4S/c1-6-7-3-2-4-8(7)9-10-11(18-13(9)17-6)12(14)16-5-15-10/h5H,2-4H2,1H3,(H2,14,15,16)
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3 -50.6 30n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27432
PNG
(11,12,13-trimethyl-8-thia-3,5,10-triazatricyclo[7....)
Show SMILES Cc1nc2sc3c(N)ncnc3c2c(C)c1C
Show InChI InChI=1S/C12H12N4S/c1-5-6(2)8-9-10(11(13)15-4-14-9)17-12(8)16-7(5)3/h4H,1-3H3,(H2,13,14,15)
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4 -49.9 40n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463292
PNG
(CHEMBL4243649)
Show SMILES COc1cccc(c1)C(=O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H39NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,29H,8-9,12-15,17-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463289
PNG
(CHEMBL4248801)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C=O)OC
Show InChI InChI=1S/C26H33NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,15-16,19,22H,4-5,8-14H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27433
PNG
(16-methyl-8-thia-3,5,10-triazatetracyclo[7.7.0.0^{...)
Show SMILES Cc1c2CCCc2nc2sc3c(N)ncnc3c12
Show InChI InChI=1S/C13H12N4S/c1-6-7-3-2-4-8(7)17-13-9(6)10-11(18-13)12(14)16-5-15-10/h5H,2-4H2,1H3,(H2,14,15,16)
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5 -49.3 50n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463293
PNG
(CHEMBL4242847)
Show SMILES COc1cccc(c1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463287
PNG
(CHEMBL4238309)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H36F3NO5/c1-29(42-27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,28H,4-5,12-18H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463290
PNG
(CHEMBL4241031)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(C)=O)OC
Show InChI InChI=1S/C27H35NO5/c1-16(29)33-24(2)15-25-9-10-27(24,31-4)23-26(25)11-12-28(14-17-5-6-17)20(25)13-18-7-8-19(30-3)22(32-23)21(18)26/h7-8,17,20,23H,5-6,9-15H2,1-4H3/t20-,23-,24+,25-,26+,27+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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7.20n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) by in-vitro assay


Eur J Med Chem 140: 293-304 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463290
PNG
(CHEMBL4241031)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(C)=O)OC
Show InChI InChI=1S/C27H35NO5/c1-16(29)33-24(2)15-25-9-10-27(24,31-4)23-26(25)11-12-28(14-17-5-6-17)20(25)13-18-7-8-19(30-3)22(32-23)21(18)26/h7-8,17,20,23H,5-6,9-15H2,1-4H3/t20-,23-,24+,25-,26+,27+/m1/s1
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9n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463286
PNG
(CHEMBL4239240)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H38F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,27-28,38H,4-5,12-18H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463292
PNG
(CHEMBL4243649)
Show SMILES COc1cccc(c1)C(=O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H39NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,29H,8-9,12-15,17-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1
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11n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463286
PNG
(CHEMBL4239240)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H38F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,27-28,38H,4-5,12-18H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1
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13n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463282
PNG
(CHEMBL4243463)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccc(cc1)-c1ccccc1)OC
Show InChI InChI=1S/C38H43NO4/c1-35(33(40)27-13-11-26(12-14-27)25-7-5-4-6-8-25)23-36-17-18-38(35,42-3)34-37(36)19-20-39(22-24-9-10-24)30(36)21-28-15-16-29(41-2)32(43-34)31(28)37/h4-8,11-16,24,30,33-34,40H,9-10,17-23H2,1-3H3/t30-,33?,34-,35-,36-,37+,38+/m1/s1
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17n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463297
PNG
(CHEMBL4246433)
Show SMILES COc1ccc(cc1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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19n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463293
PNG
(CHEMBL4242847)
Show SMILES COc1cccc(c1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1
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26n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463296
PNG
(CHEMBL4237854)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)C(C)C)OC
Show InChI InChI=1S/C29H39NO5/c1-17(2)24(31)35-26(3)16-27-10-11-29(26,33-5)25-28(27)12-13-30(15-18-6-7-18)21(27)14-19-8-9-20(32-4)23(34-25)22(19)28/h8-9,17-18,21,25H,6-7,10-16H2,1-5H3/t21-,25-,26+,27-,28+,29+/m1/s1
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28n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Rattus norvegicus)
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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29n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay


Eur J Med Chem 52: 70-81 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.006
BindingDB Entry DOI: 10.7270/Q26H4JD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463284
PNG
(CHEMBL4245818)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)CO)OC
Show InChI InChI=1S/C26H35NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,16,19,22,28H,4-5,8-15H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1
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30n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463281
PNG
(CHEMBL4240426)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(=O)c1ccccc1)OC
Show InChI InChI=1S/C32H37NO4/c1-29(27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,28H,9-10,13-19H2,1-3H3/t24-,28-,29-,30-,31+,32+/m1/s1
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33n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Rattus norvegicus)
BDBM50381857
PNG
(CHEMBL2023268)
Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C18H14FNO2/c19-16-7-3-1-5-14(16)12-20-11-13(9-10-18(21)22)15-6-2-4-8-17(15)20/h1-11H,12H2,(H,21,22)/b10-9+
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33n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay


Eur J Med Chem 52: 70-81 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.006
BindingDB Entry DOI: 10.7270/Q26H4JD5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463296
PNG
(CHEMBL4237854)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)C(C)C)OC
Show InChI InChI=1S/C29H39NO5/c1-17(2)24(31)35-26(3)16-27-10-11-29(26,33-5)25-28(27)12-13-30(15-18-6-7-18)21(27)14-19-8-9-20(32-4)23(34-25)22(19)28/h8-9,17-18,21,25H,6-7,10-16H2,1-5H3/t21-,25-,26+,27-,28+,29+/m1/s1
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34n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463291
PNG
(CHEMBL4237758)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccccc1)OC
Show InChI InChI=1S/C32H39NO4/c1-29(27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,27-28,34H,9-10,13-19H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1
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38n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463288
PNG
(CHEMBL4238289)
Show SMILES COc1ccc(cc1)C(=O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H39NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,29H,5-6,13-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1
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39n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27434
PNG
(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0....)
Show SMILES Cc1cc(C)c2c(n1)sc1c(N)ncnc21
Show InChI InChI=1S/C11H10N4S/c1-5-3-6(2)15-11-7(5)8-9(16-11)10(12)14-4-13-8/h3-4H,1-2H3,(H2,12,13,14)
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Article
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40 -43.9 400n/an/an/an/a7.537



Roche



Assay Description
The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After inc...


Bioorg Med Chem Lett 19: 319-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.093
BindingDB Entry DOI: 10.7270/Q20G3HG2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463289
PNG
(CHEMBL4248801)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C=O)OC
Show InChI InChI=1S/C26H33NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,15-16,19,22H,4-5,8-14H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1
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49n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463288
PNG
(CHEMBL4238289)
Show SMILES COc1ccc(cc1)C(=O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H39NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,29H,5-6,13-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1
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49n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463282
PNG
(CHEMBL4243463)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccc(cc1)-c1ccccc1)OC
Show InChI InChI=1S/C38H43NO4/c1-35(33(40)27-13-11-26(12-14-27)25-7-5-4-6-8-25)23-36-17-18-38(35,42-3)34-37(36)19-20-39(22-24-9-10-24)30(36)21-28-15-16-29(41-2)32(43-34)31(28)37/h4-8,11-16,24,30,33-34,40H,9-10,17-23H2,1-3H3/t30-,33?,34-,35-,36-,37+,38+/m1/s1
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49n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Pyruvate kinase (PKM2)


(Homo sapiens (Human))
BDBM50455474
PNG
(CHEMBL4218770)
Show SMILES CC1=C2CC[C@@](C)(OC(=O)CCCc3cn(CCOCCOCCOCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=O)N[C@@H]45)nn3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
Show InChI InChI=1S/C39H58N6O9S/c1-25-11-12-29-26(2)37(48)53-36(29)34-28(25)13-14-39(34,3)54-33(47)10-6-7-27-23-45(44-43-27)16-18-51-20-22-52-21-19-50-17-15-40-32(46)9-5-4-8-31-35-30(24-55-31)41-38(49)42-35/h23,29-31,34-36H,2,4-22,24H2,1,3H3,(H,40,46)(H2,41,42,49)/t29-,30+,31+,34-,35+,36-,39+/m0/s1
PDB

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50n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Irreversible binding affinity to recombinant human PKM2 expressed in Escherichia coli BL21


J Med Chem 61: 4155-4164 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463283
PNG
(CHEMBL4243112)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)c1ccccc1)OC
Show InChI InChI=1S/C32H37NO5/c1-29(38-27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,28H,9-10,13-19H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
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55n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463286
PNG
(CHEMBL4239240)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H38F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,27-28,38H,4-5,12-18H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1
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59n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463285
PNG
(CHEMBL4241369)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(=O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H36F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,28H,4-5,12-18H2,1-3H3/t24-,28-,29-,30-,31+,32+/m1/s1
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72n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463283
PNG
(CHEMBL4243112)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)c1ccccc1)OC
Show InChI InChI=1S/C32H37NO5/c1-29(38-27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,28H,9-10,13-19H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
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74n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463285
PNG
(CHEMBL4241369)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(=O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H36F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,28H,4-5,12-18H2,1-3H3/t24-,28-,29-,30-,31+,32+/m1/s1
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81n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463290
PNG
(CHEMBL4241031)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(C)=O)OC
Show InChI InChI=1S/C27H35NO5/c1-16(29)33-24(2)15-25-9-10-27(24,31-4)23-26(25)11-12-28(14-17-5-6-17)20(25)13-18-7-8-19(30-3)22(32-23)21(18)26/h7-8,17,20,23H,5-6,9-15H2,1-4H3/t20-,23-,24+,25-,26+,27+/m1/s1
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104n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463284
PNG
(CHEMBL4245818)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)CO)OC
Show InChI InChI=1S/C26H35NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,16,19,22,28H,4-5,8-15H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1
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116n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463288
PNG
(CHEMBL4238289)
Show SMILES COc1ccc(cc1)C(=O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC
Show InChI InChI=1S/C33H39NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,29H,5-6,13-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1
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123n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463285
PNG
(CHEMBL4241369)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)C(=O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H36F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,28H,4-5,12-18H2,1-3H3/t24-,28-,29-,30-,31+,32+/m1/s1
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127n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463294
PNG
(CHEMBL4249256)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1C(=O)c1ccccc1
Show InChI InChI=1S/C31H33NO4/c1-34-23-11-10-21-16-24-29-12-13-31(35-2,22(17-29)26(33)20-6-4-3-5-7-20)28-30(29,25(21)27(23)36-28)14-15-32(24)18-19-8-9-19/h3-7,10-13,19,22,24,28H,8-9,14-18H2,1-2H3/t22-,24-,28-,29-,30+,31-/m1/s1
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130n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50463287
PNG
(CHEMBL4238309)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H36F3NO5/c1-29(42-27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,28H,4-5,12-18H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
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160n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463287
PNG
(CHEMBL4238309)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)OC(=O)c1ccc(cc1)C(F)(F)F)OC
Show InChI InChI=1S/C33H36F3NO5/c1-29(42-27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,28H,4-5,12-18H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
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169n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)

More data for this
Ligand-Target Pair
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