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Patent code US9617281

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM317225
PNG
(6-(Azepan-1- ylmethyl)-2- phenylimidazo[2,1- b]thi...)
Show SMILES C(N1CCCCCC1)c1cn2cc(sc2n1)-c1ccccc1
Show InChI InChI=1S/C18H21N3S/c1-2-7-11-20(10-6-1)12-16-13-21-14-17(22-18(21)19-16)15-8-4-3-5-9-15/h3-5,8-9,13-14H,1-2,6-7,10-12H2
PDB

UniProtKB/SwissProt

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UniChem
US Patent
16n/an/an/an/an/an/an/an/a



LABORATORIES DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9617281 (2017)

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


(Cavia porcellus (Guinea pig))
BDBM317227
PNG
(6-((2-(Azepan-1- ylethoxy)methyl)-2- phenylimidazo...)
Show SMILES C(CN1CCCCCC1)OCc1cn2cc(sc2n1)-c1ccccc1
Show InChI InChI=1S/C20H25N3OS/c1-2-7-11-22(10-6-1)12-13-24-16-18-14-23-15-19(25-20(23)21-18)17-8-4-3-5-9-17/h3-5,8-9,14-15H,1-2,6-7,10-13,16H2
PDB

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UniChem
US Patent
40n/an/an/an/an/an/an/an/a



LABORATORIES DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9617281 (2017)

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


(Cavia porcellus (Guinea pig))
BDBM317226
PNG
(6-((4- Methylpiperazin-1- ylmethyl)-2- phenylimida...)
Show SMILES CN1CCN(Cc2cn3cc(sc3n2)-c2ccccc2)CC1
Show InChI InChI=1S/C17H20N4S/c1-19-7-9-20(10-8-19)11-15-12-21-13-16(22-17(21)18-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
PDB

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UniChem
US Patent
56n/an/an/an/an/an/an/an/a



LABORATORIES DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9617281 (2017)

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


(Cavia porcellus (Guinea pig))
BDBM317230
PNG
(2-(Azepan-1- ylmethyl)-6- phenylimidazo[2,1- b]thi...)
Show SMILES C(N1CCCCCC1)c1cn2cc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C18H21N3S/c1-2-7-11-20(10-6-1)12-16-13-21-14-17(19-18(21)22-16)15-8-4-3-5-9-15/h3-5,8-9,13-14H,1-2,6-7,10-12H2
PDB

UniProtKB/SwissProt

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UniChem
US Patent
100n/an/an/an/an/an/an/an/a



LABORATORIES DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9617281 (2017)

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


(Cavia porcellus (Guinea pig))
BDBM317218
PNG
(US9617281, Compound 4)
Show SMILES C(CN1CCCCCC1)OCc1cn2nc(sc2n1)-c1ccccc1
Show InChI InChI=1S/C19H24N4OS/c1-2-7-11-22(10-6-1)12-13-24-15-17-14-23-19(20-17)25-18(21-23)16-8-4-3-5-9-16/h3-5,8-9,14H,1-2,6-7,10-13,15H2
PDB

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UniChem
US Patent
168n/an/an/an/an/an/an/an/a



LABORATORIES DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9617281 (2017)

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


(Cavia porcellus (Guinea pig))
BDBM317228
PNG
(2-Phenyl-6-((2- (pyrrolidin-1- yl)ethoxy)methyl) i...)
Show SMILES C(CN1CCCC1)OCc1cn2cc(sc2n1)-c1ccccc1
Show InChI InChI=1S/C18H21N3OS/c1-2-6-15(7-3-1)17-13-21-12-16(19-18(21)23-17)14-22-11-10-20-8-4-5-9-20/h1-3,6-7,12-13H,4-5,8-11,14H2
PDB

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UniChem
US Patent
190n/an/an/an/an/an/an/an/a



LABORATORIES DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9617281 (2017)

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


(Cavia porcellus (Guinea pig))
BDBM317231
PNG
(2-(4-Fluorophenyl)- 6-((4- methylpiperazin-1- yl)m...)
Show SMILES CN1CCN(Cc2cn3cc(sc3n2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C17H19FN4S/c1-20-6-8-21(9-7-20)10-15-11-22-12-16(23-17(22)19-15)13-2-4-14(18)5-3-13/h2-5,11-12H,6-10H2,1H3
PDB

UniProtKB/SwissProt

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UniChem
US Patent
210n/an/an/an/an/an/an/an/a



LABORATORIES DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9617281 (2017)

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


(Cavia porcellus (Guinea pig))
BDBM317229
PNG
(6-((4- Methylpiperazin-1- ylmethyl)-2- phenylimida...)
Show SMILES CN1CCN(Cc2cn3nc(sc3n2)-c2ccccc2)CC1
Show InChI InChI=1S/C16H19N5S/c1-19-7-9-20(10-8-19)11-14-12-21-16(17-14)22-15(18-21)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
260n/an/an/an/an/an/an/an/a



LABORATORIES DEL DR. ESTEVE S.A.

US Patent


Assay Description
Brain membrane preparation and binding assays for the σ1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y...


US Patent US9617281 (2017)

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