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Patent code US10072008

Compile Data Set for Download or QSAR
Found 7 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


(HUMAN)
BDBM277318
PNG
(1'-benzyl-2-methyl-2,4-dihydro-1H-spiro[isoquinoli...)
Show SMILES CN1Cc2ccccc2CC11CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2/c1-22-17-20-10-6-5-9-19(20)15-21(22)11-13-23(14-12-21)16-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
PDB

UniProtKB/SwissProt

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UniChem
<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10072008 (2018)

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


(HUMAN)
BDBM277315
PNG
(1'-phenethyl-2,4-dihydro-1H-spiro[isoquinoline-3,4...)
Show SMILES C(Cc1ccccc1)N1CCC2(CC1)Cc1ccccc1CN2
Show InChI InChI=1S/C21H26N2/c1-2-6-18(7-3-1)10-13-23-14-11-21(12-15-23)16-19-8-4-5-9-20(19)17-22-21/h1-9,22H,10-17H2
PDB

UniProtKB/SwissProt

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UniChem
<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10072008 (2018)

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


(HUMAN)
BDBM277313
PNG
(1'-phenethyl-2,4-dihydro-1H-spiro[isoquinoline-3,4...)
Show SMILES O=C1NC2(CCN(CCc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C21H24N2O/c24-20-19-9-5-4-8-18(19)16-21(22-20)11-14-23(15-12-21)13-10-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,24)
PDB

UniProtKB/SwissProt

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UniChem
<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10072008 (2018)

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


(HUMAN)
BDBM277314
PNG
(1'-benzyl-2,4-dihydro-1H-spiro[isoquinoline-3,4'-p...)
Show SMILES O=C1NC2(CCN(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C20H22N2O/c23-19-18-9-5-4-8-17(18)14-20(21-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23)
PDB

UniProtKB/SwissProt

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UniChem
<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10072008 (2018)

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


(HUMAN)
BDBM277316
PNG
(1'-benzyl-2,4-dihydro-1H-spiro[isoquinoline-3,4'-p...)
Show SMILES C(N1CCC2(CC1)Cc1ccccc1CN2)c1ccccc1
Show InChI InChI=1S/C20H24N2/c1-2-6-17(7-3-1)16-22-12-10-20(11-13-22)14-18-8-4-5-9-19(18)15-21-20/h1-9,21H,10-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
<100n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10072008 (2018)

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


(HUMAN)
BDBM277319
PNG
(4-(2-(2-methyl-2,4-dihydro-1H-spiro[isoquinoline-3...)
Show SMILES CN1Cc2ccccc2CC11CCN(CCN2CCOCC2)CC1
Show InChI InChI=1S/C20H31N3O/c1-21-17-19-5-3-2-4-18(19)16-20(21)6-8-22(9-7-20)10-11-23-12-14-24-15-13-23/h2-5H,6-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10072008 (2018)

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


(HUMAN)
BDBM277317
PNG
(1-(1'-phenethyl-1H-spiro[isoquinoline-3,4'-piperid...)
Show SMILES CC(=O)N1Cc2ccccc2CC11CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H28N2O/c1-19(26)25-18-22-10-6-5-9-21(22)17-23(25)12-15-24(16-13-23)14-11-20-7-3-2-4-8-20/h2-10H,11-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
<500n/an/an/an/an/an/an/an/a



ESTEVE PHARMACEUTICALS S.A.

US Patent


Assay Description
To investigate binding properties of test compounds to human σ1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...


US Patent US10072008 (2018)

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