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Patent code US10213416

Compile Data Set for Download or QSAR
Found 11 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
Acid ceramidase


(Homo sapiens (Human))
BDBM356505
PNG
(6-(4-methoxybenzoyl)-2-oxo- N-(5-phenylpentyl)-1,3...)
Show SMILES COc1ccc(cc1)C(=O)c1ccc2n(C(=O)NCCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C27H26N2O5/c1-33-22-14-11-20(12-15-22)25(30)21-13-16-23-24(18-21)34-27(32)29(23)26(31)28-17-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-16,18H,3,6-7,10,17H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356510
PNG
(5-chloro-7-(4-fluorophenyl)-2- oxo-N-(5-phenylpent...)
Show SMILES Fc1ccc(cc1)-c1cc(Cl)cc2n(C(=O)NCCCCCc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C25H22ClFN2O3/c26-19-15-21(18-10-12-20(27)13-11-18)23-22(16-19)29(25(31)32-23)24(30)28-14-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356507
PNG
(5-(4-methoxybenzoyl)-2-oxo- N-(6-phenylhexyl)-1,3-...)
Show SMILES COc1ccc(cc1)C(=O)c1ccc2oc(=O)n(C(=O)NCCCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C28H28N2O5/c1-34-23-15-12-21(13-16-23)26(31)22-14-17-25-24(19-22)30(28(33)35-25)27(32)29-18-8-3-2-5-9-20-10-6-4-7-11-20/h4,6-7,10-17,19H,2-3,5,8-9,18H2,1H3,(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356508
PNG
(7-(4-fluorobenzoyl)-2-oxo-N- (5-phenylpentyl)-1,3-...)
Show SMILES Fc1ccc(cc1)C(=O)c1cccc2n(C(=O)NCCCCCc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C26H23FN2O4/c27-20-15-13-19(14-16-20)23(30)21-11-7-12-22-24(21)33-26(32)29(22)25(31)28-17-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,7-9,11-16H,2,5-6,10,17H2,(H,28,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 66n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356501
PNG
(6-(4-fluorophenyl)-2-oxo-N-(5- phenylpentyl)-1,3- ...)
Show SMILES Fc1ccc(cc1)-c1ccc2n(C(=O)NCCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H23FN2O3/c26-21-13-10-19(11-14-21)20-12-15-22-23(17-20)31-25(30)28(22)24(29)27-16-6-2-5-9-18-7-3-1-4-8-18/h1,3-4,7-8,10-15,17H,2,5-6,9,16H2,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356502
PNG
(6-(2-fluorophenyl)-2-oxo-N-(5- phenylpentyl)-1,3- ...)
Show SMILES Fc1ccccc1-c1ccc2oc(=O)n(C(=O)NCCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C25H23FN2O3/c26-21-13-7-6-12-20(21)19-14-15-23-22(17-19)28(25(30)31-23)24(29)27-16-8-2-5-11-18-9-3-1-4-10-18/h1,3-4,6-7,9-10,12-15,17H,2,5,8,11,16H2,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 102n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356503
PNG
(2-oxo-N-(6-phenylhexyl)-5-[4- (trifluoromethyl) ph...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2oc(=O)n(C(=O)NCCCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C27H25F3N2O3/c28-27(29,30)22-14-11-20(12-15-22)21-13-16-24-23(18-21)32(26(34)35-24)25(33)31-17-7-2-1-4-8-19-9-5-3-6-10-19/h3,5-6,9-16,18H,1-2,4,7-8,17H2,(H,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 111n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356504
PNG
(7-(4-fluorophenyl)-2-oxo-N-(6- phenylhexyl)-1,3-be...)
Show SMILES Fc1ccc(cc1)-c1cccc2n(C(=O)NCCCCCCc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C26H25FN2O3/c27-21-16-14-20(15-17-21)22-12-8-13-23-24(22)32-26(31)29(23)25(30)28-18-7-2-1-4-9-19-10-5-3-6-11-19/h3,5-6,8,10-17H,1-2,4,7,9,18H2,(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 125n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356509
PNG
(N-(3-butoxypropyl)-6-(4- fluorophenyl)-2-oxo-1,3- ...)
Show SMILES CCCCOCCCNC(=O)n1c2ccc(cc2oc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN2O4/c1-2-3-12-27-13-4-11-23-20(25)24-18-10-7-16(14-19(18)28-21(24)26)15-5-8-17(22)9-6-15/h5-10,14H,2-4,11-13H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 132n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356506
PNG
((+-)-6-[hydroxy-(4- methoxyphenyl)methyl]-2-oxo- N...)
Show SMILES COc1ccc(cc1)C(O)c1ccc2n(C(=O)NCCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C27H28N2O5/c1-33-22-14-11-20(12-15-22)25(30)21-13-16-23-24(18-21)34-27(32)29(23)26(31)28-17-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,11-16,18,25,30H,3,6-7,10,17H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM356511
PNG
(5-(4-fluorophenyl)-2-oxo-N-(4- phenylsulfanylbutyl...)
Show SMILES Fc1ccc(cc1)-c1ccc2oc(=O)n(C(=O)NCCCCSc3ccccc3)c2c1
Show InChI InChI=1S/C24H21FN2O3S/c25-19-11-8-17(9-12-19)18-10-13-22-21(16-18)27(24(29)30-22)23(28)26-14-4-5-15-31-20-6-2-1-3-7-20/h1-3,6-13,16H,4-5,14-15H2,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/an/an/a



The Regents of the University of Chicago; Fondazione Istituto Italiano di Technologia

US Patent


Assay Description
hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% No...


US Patent US10213416 (2019)

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