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22 similar compounds to monomer 50396382

Compile data set for download or QSAR
Wt: 393.5
BDBM50396340
Wt: 365.4
BDBM50396341
Wt: 321.8
BDBM50396355
Wt: 372.2
BDBM50396364
Wt: 356.2
BDBM50396366
Wt: 398.3
BDBM50396367
Wt: 370.2
BDBM50396369
Wt: 370.3
BDBM50396372
Wt: 356.2
BDBM50396376
Wt: 397.3
BDBM50396378
Wt: 458.4
BDBM50396379
Wt: 382.3
BDBM50396380
Wt: 368.3
BDBM50396381
Wt: 356.2
BDBM50396385
Wt: 354.2
BDBM50396387
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50396340,50396341,50396355,50396364,50396366,50396367,50396369,50396372,50396376,50396378,50396379,50396380,50396381,50396385,50396387   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396381
PNG
(CHEMBL2170222)
Show SMILES Cc1cc(OCCCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H23Cl2N3O/c1-14-12-18(24-11-5-4-10-22-8-2-3-9-22)21-23(14)15-6-7-16(19)17(20)13-15/h6-7,12-13H,2-5,8-11H2,1H3
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6.90n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396380
PNG
(CHEMBL2170223)
Show SMILES Cc1cc(OCCCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H25Cl2N3O/c1-15-13-19(22-24(15)16-7-8-17(20)18(21)14-16)25-12-6-5-11-23-9-3-2-4-10-23/h7-8,13-14H,2-6,9-12H2,1H3
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7.10n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396364
PNG
(CHEMBL2170206)
Show SMILES COCCN(C)CCCCOc1ccn(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N3O2/c1-21(10-12-23-2)8-3-4-11-24-17-7-9-22(20-17)14-5-6-15(18)16(19)13-14/h5-7,9,13H,3-4,8,10-12H2,1-2H3
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8.20n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396378
PNG
(CHEMBL2170071)
Show SMILES CN1CCN(CCCCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C19H26Cl2N4O/c1-15-13-19(22-25(15)16-5-6-17(20)18(21)14-16)26-12-4-3-7-24-10-8-23(2)9-11-24/h5-6,13-14H,3-4,7-12H2,1-2H3
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9.90n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396387
PNG
(CHEMBL2170217)
Show SMILES Cc1cc(OCCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H21Cl2N3O/c1-13-11-17(23-10-4-9-21-7-2-3-8-21)20-22(13)14-5-6-15(18)16(19)12-14/h5-6,11-12H,2-4,7-10H2,1H3
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10.4n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396376
PNG
(CHEMBL2170225)
Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)13-2-3-14(17)15(18)11-13/h2-3,10-11H,4-9H2,1H3
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10.8n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396372
PNG
(CHEMBL2170072)
Show SMILES CCN(CC)CCCCOc1cc(C)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H25Cl2N3O/c1-4-22(5-2)10-6-7-11-24-18-12-14(3)23(21-18)15-8-9-16(19)17(20)13-15/h8-9,12-13H,4-7,10-11H2,1-3H3
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11.7n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396367
PNG
(CHEMBL2170203)
Show SMILES C[C@H]1CN(CCCCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1
Show InChI InChI=1S/C19H25Cl2N3O2/c1-14-12-23(13-15(2)26-14)8-3-4-10-25-19-7-9-24(22-19)16-5-6-17(20)18(21)11-16/h5-7,9,11,14-15H,3-4,8,10,12-13H2,1-2H3/t14-,15+
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14.8n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396385
PNG
(CHEMBL2169891)
Show SMILES Clc1ccc(cc1Cl)-n1ccc(OCCCN2CCOCC2)n1
Show InChI InChI=1S/C16H19Cl2N3O2/c17-14-3-2-13(12-15(14)18)21-6-4-16(19-21)23-9-1-5-20-7-10-22-11-8-20/h2-4,6,12H,1,5,7-11H2
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16.1n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396366
PNG
(CHEMBL2170204)
Show SMILES CCN(CC)CCCCOc1ccn(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N3O/c1-3-21(4-2)10-5-6-12-23-17-9-11-22(20-17)14-7-8-15(18)16(19)13-14/h7-9,11,13H,3-6,10,12H2,1-2H3
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17.2n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396369
PNG
(CHEMBL2170075)
Show SMILES Clc1ccc(cc1Cl)-n1ccc(OCCCCN2CCOCC2)n1
Show InChI InChI=1S/C17H21Cl2N3O2/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)24-10-2-1-6-21-8-11-23-12-9-21/h3-5,7,13H,1-2,6,8-12H2
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17.6n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396379
PNG
(CHEMBL2170224)
Show SMILES Cc1cc(OCCCCN2CCC(CC2)c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H29Cl2N3O/c1-19-17-25(28-30(19)22-9-10-23(26)24(27)18-22)31-16-6-5-13-29-14-11-21(12-15-29)20-7-3-2-4-8-20/h2-4,7-10,17-18,21H,5-6,11-16H2,1H3
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26n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396340
PNG
(CHEMBL2170049)
Show SMILES C[C@H]1CN(CCCCOc2cc(C)n(n2)-c2ccc3ccccc3c2)C[C@@H](C)O1
Show InChI InChI=1S/C24H31N3O2/c1-18-14-24(28-13-7-6-12-26-16-19(2)29-20(3)17-26)25-27(18)23-11-10-21-8-4-5-9-22(21)15-23/h4-5,8-11,14-15,19-20H,6-7,12-13,16-17H2,1-3H3/t19-,20+
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65n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396341
PNG
(CHEMBL2170048)
Show SMILES Cc1cc(OCCCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O2/c1-18-16-22(27-13-5-4-10-24-11-14-26-15-12-24)23-25(18)21-9-8-19-6-2-3-7-20(19)17-21/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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99.1n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50396355
PNG
(CHEMBL2170059)
Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C16H20ClN3O2/c1-13-11-16(22-10-7-19-5-8-21-9-6-19)18-20(13)15-4-2-3-14(17)12-15/h2-4,11-12H,5-10H2,1H3
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180n/an/an/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50396376
PNG
(CHEMBL2170225)
Show SMILES Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)13-2-3-14(17)15(18)11-13/h2-3,10-11H,4-9H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Esteve

Curated by ChEMBL


Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay


J Med Chem 55: 8211-24 (2012)


Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM
More data for this
Ligand-Target Pair