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Patent code US11007200

Compile Data Set for Download or QSAR
Found 16 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497388
PNG
(US11007200, Example 4a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C22H29ClN2/c1-24-22(19-13-5-6-14-20(19)23)16-8-7-15-21(22)25-17-9-12-18-10-3-2-4-11-18/h2-6,10-11,13-14,21,24-25H,7-9,12,15-17H2,1H3/t21-,22-/m0/s1
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US Patent
15.5n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497384
PNG
(US11007200, Example 2a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCN1CCCC1)c1ccccc1Cl
Show InChI InChI=1S/C20H32ClN3/c1-22-20(17-9-2-3-10-18(17)21)12-5-4-11-19(20)23-13-8-16-24-14-6-7-15-24/h2-3,9-10,19,22-23H,4-8,11-16H2,1H3/t19-,20-/m0/s1
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US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497386
PNG
(US11007200, Example 3a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H28ClFN2/c1-25-22(19-8-2-3-9-20(19)23)15-5-4-10-21(22)26-16-6-7-17-11-13-18(24)14-12-17/h2-3,8-9,11-14,21,25-26H,4-7,10,15-16H2,1H3/t21-,22-/m0/s1
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18n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497386
PNG
(US11007200, Example 3a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H28ClFN2/c1-25-22(19-8-2-3-9-20(19)23)15-5-4-10-21(22)26-16-6-7-17-11-13-18(24)14-12-17/h2-3,8-9,11-14,21,25-26H,4-7,10,15-16H2,1H3/t21-,22-/m0/s1
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US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497391
PNG
(US11007200, Example 2b)
Show SMILES CN[C@]1(CCCC[C@@H]1NCCCN1CCCC1)c1ccccc1Cl
Show InChI InChI=1S/C20H32ClN3/c1-22-20(17-9-2-3-10-18(17)21)12-5-4-11-19(20)23-13-8-16-24-14-6-7-15-24/h2-3,9-10,19,22-23H,4-8,11-16H2,1H3/t19-,20+/m0/s1
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US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497384
PNG
(US11007200, Example 2a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCN1CCCC1)c1ccccc1Cl
Show InChI InChI=1S/C20H32ClN3/c1-22-20(17-9-2-3-10-18(17)21)12-5-4-11-19(20)23-13-8-16-24-14-6-7-15-24/h2-3,9-10,19,22-23H,4-8,11-16H2,1H3/t19-,20-/m0/s1
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59.8n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497390
PNG
(US11007200, Example 13a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCN1CCN(C)CC1)c1ccccc1Cl
Show InChI InChI=1S/C21H35ClN4/c1-23-21(18-8-3-4-9-19(18)22)11-6-5-10-20(21)24-12-7-13-26-16-14-25(2)15-17-26/h3-4,8-9,20,23-24H,5-7,10-17H2,1-2H3/t20-,21-/m0/s1
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MediSynergics, LLC

US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497388
PNG
(US11007200, Example 4a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C22H29ClN2/c1-24-22(19-13-5-6-14-20(19)23)16-8-7-15-21(22)25-17-9-12-18-10-3-2-4-11-18/h2-6,10-11,13-14,21,24-25H,7-9,12,15-17H2,1H3/t21-,22-/m0/s1
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MediSynergics, LLC

US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497390
PNG
(US11007200, Example 13a)
Show SMILES CN[C@@]1(CCCC[C@@H]1NCCCN1CCN(C)CC1)c1ccccc1Cl
Show InChI InChI=1S/C21H35ClN4/c1-23-21(18-8-3-4-9-19(18)22)11-6-5-10-20(21)24-12-7-13-26-16-14-25(2)15-17-26/h3-4,8-9,20,23-24H,5-7,10-17H2,1-2H3/t20-,21-/m0/s1
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US Patent
98n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497392
PNG
(US11007200, Example 13b)
Show SMILES CN[C@]1(CCCC[C@@H]1NCCCN1CCN(C)CC1)c1ccccc1Cl
Show InChI InChI=1S/C21H35ClN4/c1-23-21(18-8-3-4-9-19(18)22)11-6-5-10-20(21)24-12-7-13-26-16-14-25(2)15-17-26/h3-4,8-9,20,23-24H,5-7,10-17H2,1-2H3/t20-,21+/m0/s1
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US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497387
PNG
(US11007200, Example 3b)
Show SMILES CN[C@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H28ClFN2/c1-25-22(19-8-2-3-9-20(19)23)15-5-4-10-21(22)26-16-6-7-17-11-13-18(24)14-12-17/h2-3,8-9,11-14,21,25-26H,4-7,10,15-16H2,1H3/t21-,22+/m0/s1
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MediSynergics, LLC

US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497391
PNG
(US11007200, Example 2b)
Show SMILES CN[C@]1(CCCC[C@@H]1NCCCN1CCCC1)c1ccccc1Cl
Show InChI InChI=1S/C20H32ClN3/c1-22-20(17-9-2-3-10-18(17)21)12-5-4-11-19(20)23-13-8-16-24-14-6-7-15-24/h2-3,9-10,19,22-23H,4-8,11-16H2,1H3/t19-,20+/m0/s1
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US Patent
305n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497389
PNG
(US11007200, Example 4b)
Show SMILES CN[C@]1(CCCC[C@@H]1NCCCc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C22H29ClN2/c1-24-22(19-13-5-6-14-20(19)23)16-8-7-15-21(22)25-17-9-12-18-10-3-2-4-11-18/h2-6,10-11,13-14,21,24-25H,7-9,12,15-17H2,1H3/t21-,22+/m0/s1
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US Patent
426n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497392
PNG
(US11007200, Example 13b)
Show SMILES CN[C@]1(CCCC[C@@H]1NCCCN1CCN(C)CC1)c1ccccc1Cl
Show InChI InChI=1S/C21H35ClN4/c1-23-21(18-8-3-4-9-19(18)22)11-6-5-10-20(21)24-12-7-13-26-16-14-25(2)15-17-26/h3-4,8-9,20,23-24H,5-7,10-17H2,1-2H3/t20-,21+/m0/s1
UniProtKB/SwissProt

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US Patent
435n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM497387
PNG
(US11007200, Example 3b)
Show SMILES CN[C@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H28ClFN2/c1-25-22(19-8-2-3-9-20(19)23)15-5-4-10-21(22)26-16-6-7-17-11-13-18(24)14-12-17/h2-3,8-9,11-14,21,25-26H,4-7,10,15-16H2,1H3/t21-,22+/m0/s1
UniProtKB/SwissProt

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US Patent
675n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent




US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM497389
PNG
(US11007200, Example 4b)
Show SMILES CN[C@]1(CCCC[C@@H]1NCCCc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C22H29ClN2/c1-24-22(19-13-5-6-14-20(19)23)16-8-7-15-21(22)25-17-9-12-18-10-3-2-4-11-18/h2-6,10-11,13-14,21,24-25H,7-9,12,15-17H2,1H3/t21-,22+/m0/s1
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697n/an/an/an/an/an/an/an/a



MediSynergics, LLC

US Patent


Assay Description
Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is...


US Patent US11007200 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%