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Compile Data Set for Download or QSAR

Found 198 hits Enz. Inhib. hit(s) with all data for entry = 50007943   
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))		BDBM50514249
PNG
(CHEMBL4436170)
Show SMILES CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C25H32N2O2/c1-20(2)23-24(28)27(22-11-7-4-8-12-22)19-25(29-23)14-17-26(18-15-25)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3
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 1n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 2n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514248
PNG
(CHEMBL4515812)
Show SMILES CCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C24H30N2O2/c1-2-22-23(27)26(21-11-7-4-8-12-21)19-24(28-22)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3
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 3n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514273
PNG
(CHEMBL4516327)
Show SMILES CC1(C)OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C24H30N2O2/c1-23(2)22(27)26(21-11-7-4-8-12-21)19-24(28-23)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12H,13-19H2,1-2H3
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 3n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514239
PNG
(CHEMBL4470425)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cncc(F)c1
Show InChI InChI=1S/C22H26FN3O2/c1-17-21(27)26(20-13-19(23)14-24-15-20)16-22(28-17)8-11-25(12-9-22)10-7-18-5-3-2-4-6-18/h2-6,13-15,17H,7-12,16H2,1H3
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 3n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514252
PNG
(CHEMBL4452042)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1Cl
Show InChI InChI=1S/C23H27ClN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3
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 3n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514234
PNG
(CHEMBL4541206)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
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 6n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514232
PNG
(CHEMBL4536259)
Show SMILES CC1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(20-8-3-2-4-9-20)17-23(28-18)12-15-25(16-13-23)14-11-19-7-5-6-10-21(19)24/h2-10,18H,11-17H2,1H3
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 6n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514248
PNG
(CHEMBL4515812)
Show SMILES CCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C24H30N2O2/c1-2-22-23(27)26(21-11-7-4-8-12-21)19-24(28-22)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3
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 6n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514234
PNG
(CHEMBL4541206)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
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 7n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514257
PNG
(CHEMBL4538620)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-9-5-8-19(27-20)23(24,25)26)16-22(31-17)11-14-28(15-12-22)13-10-18-6-3-2-4-7-18/h2-9,17H,10-16H2,1H3
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 8n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514232
PNG
(CHEMBL4536259)
Show SMILES CC1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(20-8-3-2-4-9-20)17-23(28-18)12-15-25(16-13-23)14-11-19-7-5-6-10-21(19)24/h2-10,18H,11-17H2,1H3
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 8n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514253
PNG
(CHEMBL4584335)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1F
Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3
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 8n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514252
PNG
(CHEMBL4452042)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1Cl
Show InChI InChI=1S/C23H27ClN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3
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 8n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514259
PNG
(CHEMBL4534193)
Show SMILES CC1OC2(CCN(CCc3cccc(F)c3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-8-3-2-4-9-21)17-23(28-18)11-14-25(15-12-23)13-10-19-6-5-7-20(24)16-19/h2-9,16,18H,10-15,17H2,1H3
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 8n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514247
PNG
(CHEMBL4450665)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m1/s1
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 8n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514258
PNG
(CHEMBL4560624)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(19-7-8-20(27-15-19)23(24,25)26)16-22(31-17)10-13-28(14-11-22)12-9-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3
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 9n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514251
PNG
(CHEMBL4438550)
Show SMILES O=C1N(CC2(CCN(CCc3ccccc3)CC2)OC11CC1)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-22-24(12-13-24)28-23(19-26(22)21-9-5-2-6-10-21)14-17-25(18-15-23)16-11-20-7-3-1-4-8-20/h1-10H,11-19H2
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 9n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514249
PNG
(CHEMBL4436170)
Show SMILES CC(C)C1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C25H32N2O2/c1-20(2)23-24(28)27(22-11-7-4-8-12-22)19-25(29-23)14-17-26(18-15-25)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3
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 10n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514259
PNG
(CHEMBL4534193)
Show SMILES CC1OC2(CCN(CCc3cccc(F)c3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-8-3-2-4-9-21)17-23(28-18)11-14-25(15-12-23)13-10-19-6-5-7-20(24)16-19/h2-9,16,18H,10-15,17H2,1H3
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 10n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514262
PNG
(CHEMBL4576031)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1cnccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H25F4N3O2/c1-16-21(31)30(20-14-28-10-6-18(20)23(25,26)27)15-22(32-16)8-12-29(13-9-22)11-7-17-4-2-3-5-19(17)24/h2-6,10,14,16H,7-9,11-13,15H2,1H3/t16-/m1/s1
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 11n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514233
PNG
(CHEMBL4544352)
Show SMILES CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-5-3-2-4-6-21)17-23(28-18)12-15-25(16-13-23)14-11-19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3
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 11n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514253
PNG
(CHEMBL4584335)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1F
Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-10-6-5-9-20(21)24)17-23(28-18)12-15-25(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3
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 11n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50370595
PNG
(OXYCODONE | Oxycontin | US1184575, oxycodone | US9...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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 12n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514268
PNG
(CHEMBL4578955)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccn1
Show InChI InChI=1S/C22H27N3O2/c1-18-21(26)25(20-9-5-6-13-23-20)17-22(27-18)11-15-24(16-12-22)14-10-19-7-3-2-4-8-19/h2-9,13,18H,10-12,14-17H2,1H3
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 13n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514273
PNG
(CHEMBL4516327)
Show SMILES CC1(C)OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C24H30N2O2/c1-23(2)22(27)26(21-11-7-4-8-12-21)19-24(28-23)14-17-25(18-15-24)16-13-20-9-5-3-6-10-20/h3-12H,13-19H2,1-2H3
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 13n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514256
PNG
(CHEMBL4439718)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccn1
Show InChI InChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3
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 13n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514265
PNG
(CHEMBL4439285)
Show SMILES COCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C24H30N2O3/c1-28-18-22-23(27)26(21-10-6-3-7-11-21)19-24(29-22)13-16-25(17-14-24)15-12-20-8-4-2-5-9-20/h2-11,22H,12-19H2,1H3
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 13n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514241
PNG
(CHEMBL4593220)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-13-19(14-27-15-20)23(24,25)26)16-22(31-17)8-11-28(12-9-22)10-7-18-5-3-2-4-6-18/h2-6,13-15,17H,7-12,16H2,1H3
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 14n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514238
PNG
(CHEMBL4457602)
Show SMILES COc1ccc(cc1)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
Show InChI InChI=1S/C24H30N2O3/c1-19-23(27)26(21-8-10-22(28-2)11-9-21)18-24(29-19)13-16-25(17-14-24)15-12-20-6-4-3-5-7-20/h3-11,19H,12-18H2,1-2H3
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 14n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514264
PNG
(CHEMBL4467749)
Show SMILES C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m0/s1
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 14n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514251
PNG
(CHEMBL4438550)
Show SMILES O=C1N(CC2(CCN(CCc3ccccc3)CC2)OC11CC1)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c27-22-24(12-13-24)28-23(19-26(22)21-9-5-2-6-10-21)14-17-25(18-15-23)16-11-20-7-3-1-4-8-20/h1-10H,11-19H2
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 15n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514227
PNG
(CHEMBL4550656)
Show SMILES COc1cccc(c1)N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
Show InChI InChI=1S/C24H30N2O3/c1-19-23(27)26(21-9-6-10-22(17-21)28-2)18-24(29-19)12-15-25(16-13-24)14-11-20-7-4-3-5-8-20/h3-10,17,19H,11-16,18H2,1-2H3
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 15n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50396352
PNG
(CHEMBL2170062)
Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
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 17n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514233
PNG
(CHEMBL4544352)
Show SMILES CC1OC2(CCN(CCc3ccc(F)cc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H27FN2O2/c1-18-22(27)26(21-5-3-2-4-6-21)17-23(28-18)12-15-25(16-13-23)14-11-19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3
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 19n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514247
PNG
(CHEMBL4450665)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28N2O2/c1-19-22(26)25(21-10-6-3-7-11-21)18-23(27-19)13-16-24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m1/s1
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 21n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514263
PNG
(CHEMBL4446292)
Show SMILES O=C1COC2(CCN(Cc3ccccc3)CC2)CN1c1ccccc1
Show InChI InChI=1S/C21H24N2O2/c24-20-16-25-21(17-23(20)19-9-5-2-6-10-19)11-13-22(14-12-21)15-18-7-3-1-4-8-18/h1-10H,11-17H2
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 26n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514243
PNG
(CHEMBL4463621)
Show SMILES CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-19-23(28)27(22-8-3-2-4-9-22)18-24(29-19)11-14-26(15-12-24)13-10-20-6-5-7-21(16-20)17-25/h2-9,16,19H,10-15,18H2,1H3
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 28n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514270
PNG
(CHEMBL4460762)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cnccc1C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-15-27-11-7-19(20)23(24,25)26)16-22(31-17)9-13-28(14-10-22)12-8-18-5-3-2-4-6-18/h2-7,11,15,17H,8-10,12-14,16H2,1H3
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 28n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514265
PNG
(CHEMBL4439285)
Show SMILES COCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C24H30N2O3/c1-28-18-22-23(27)26(21-10-6-3-7-11-21)19-24(29-22)13-16-25(17-14-24)15-12-20-8-4-2-5-9-20/h2-11,22H,12-19H2,1H3
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 32n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514244
PNG
(CHEMBL4522004)
Show SMILES C[C@H]1OC2(CCN(CCc3ccccc3F)CC2)CN(C1=O)c1ncccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H25F4N3O2/c1-16-21(31)30(20-18(23(25,26)27)6-4-11-28-20)15-22(32-16)9-13-29(14-10-22)12-8-17-5-2-3-7-19(17)24/h2-7,11,16H,8-10,12-15H2,1H3/t16-/m1/s1
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 34n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514267
PNG
(CHEMBL4526087)
Show SMILES COc1ccccc1N1CC2(CCN(CCc3ccccc3)CC2)OC(C)C1=O
Show InChI InChI=1S/C24H30N2O3/c1-19-23(27)26(21-10-6-7-11-22(21)28-2)18-24(29-19)13-16-25(17-14-24)15-12-20-8-4-3-5-9-20/h3-11,19H,12-18H2,1-2H3
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 38n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514236
PNG
(CHEMBL4483643)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ncccc1F
Show InChI InChI=1S/C22H26FN3O2/c1-17-21(27)26(20-19(23)8-5-12-24-20)16-22(28-17)10-14-25(15-11-22)13-9-18-6-3-2-4-7-18/h2-8,12,17H,9-11,13-16H2,1H3
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 39n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514272
PNG
(CHEMBL4528962)
Show SMILES O=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
Show InChI InChI=1S/C30H34N2O3/c33-29-28(23-34-22-26-12-6-2-7-13-26)35-30(24-32(29)27-14-8-3-9-15-27)17-20-31(21-18-30)19-16-25-10-4-1-5-11-25/h1-15,28H,16-24H2
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 40n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514272
PNG
(CHEMBL4528962)
Show SMILES O=C1C(COCc2ccccc2)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1
Show InChI InChI=1S/C30H34N2O3/c33-29-28(23-34-22-26-12-6-2-7-13-26)35-30(24-32(29)27-14-8-3-9-15-27)17-20-31(21-18-30)19-16-25-10-4-1-5-11-25/h1-15,28H,16-24H2
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 40n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514266
PNG
(CHEMBL4459117)
Show SMILES OCC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C23H28N2O3/c26-17-21-22(27)25(20-9-5-2-6-10-20)18-23(28-21)12-15-24(16-13-23)14-11-19-7-3-1-4-8-19/h1-10,21,26H,11-18H2
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 46n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514231
PNG
(CHEMBL4525653)
Show SMILES C[C@H]1OC2(CCN(CCc3cccc(NC(C)=O)c3)CC2)CN(C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H31N3O3/c1-19-24(30)28(23-9-4-3-5-10-23)18-25(31-19)12-15-27(16-13-25)14-11-21-7-6-8-22(17-21)26-20(2)29/h3-10,17,19H,11-16,18H2,1-2H3,(H,26,29)/t19-/m1/s1
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 46n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514240
PNG
(CHEMBL4535897)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1cccnc1C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O2/c1-17-21(30)29(19-8-5-12-27-20(19)23(24,25)26)16-22(31-17)10-14-28(15-11-22)13-9-18-6-3-2-4-7-18/h2-8,12,17H,9-11,13-16H2,1H3
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 48n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50514243
PNG
(CHEMBL4463621)
Show SMILES CC1OC2(CCN(CCc3cccc(c3)C#N)CC2)CN(C1=O)c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-19-23(28)27(22-8-3-2-4-9-22)18-24(29-19)11-14-26(15-12-24)13-10-20-6-5-7-21(16-20)17-25/h2-9,16,19H,10-15,18H2,1H3
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 49n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50514275
PNG
(CHEMBL4592081)
Show SMILES CC1OC2(CCN(CCc3ccccc3)CC2)CN(C1=O)c1ccccc1O
Show InChI InChI=1S/C23H28N2O3/c1-18-22(27)25(20-9-5-6-10-21(20)26)17-23(28-18)12-15-24(16-13-23)14-11-19-7-3-2-4-8-19/h2-10,18,26H,11-17H2,1H3
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 51n/an/an/an/an/an/an/an/a



ESTEVE Pharmaceuticals SA

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation countin...

J Med Chem 63: 2434-2454 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01256
BindingDB Entry DOI: 10.7270/Q2PZ5D5K
More data for this
Ligand-Target Pair
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