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Patent code US10323013

Compile Data Set for Download or QSAR
Found 21 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
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013820
PNG
(CHEMBL3265274 | US10323013, Compound 34)
Show SMILES NC(=N)N1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21
Show InChI InChI=1S/C14H13N3O4/c15-14(16)17-4-3-7-8-1-2-11(19)10(6-18)12(8)21-13(20)9(7)5-17/h1-2,6,19H,3-5H2,(H3,15,16)
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US Patent
n/an/a 47n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013802
PNG
(CHEMBL3265261 | US10323013, Compound 21b)
Show SMILES Oc1ccc2c3CCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C
Show InChI InChI=1S/C17H15NO6/c1-2-7-23-17(22)18-6-5-10-11-3-4-14(20)13(9-19)15(11)24-16(21)12(10)8-18/h2-4,9,20H,1,5-8H2
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US Patent
n/an/a 111n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013817
PNG
(CHEMBL3265271 | US10323013, Compound 31)
Show SMILES Oc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1C=O
Show InChI InChI=1S/C20H17NO4/c22-12-17-18(23)7-6-15-14-8-9-21(10-13-4-2-1-3-5-13)11-16(14)20(24)25-19(15)17/h1-7,12,23H,8-11H2
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US Patent
n/an/a 113n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013814
PNG
(CHEMBL3265270 | US10323013, Compound 30)
Show SMILES CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21
Show InChI InChI=1S/C14H13NO4/c1-15-5-4-8-9-2-3-12(17)11(7-16)13(9)19-14(18)10(8)6-15/h2-3,7,17H,4-6H2,1H3
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n/an/a 200n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013819
PNG
(CHEMBL3265273 | US10323013, Compound 33)
Show SMILES CC(=C)CN1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21
Show InChI InChI=1S/C17H17NO4/c1-10(2)7-18-6-5-11-12-3-4-15(20)14(9-19)16(12)22-17(21)13(11)8-18/h3-4,9,20H,1,5-8H2,2H3
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US Patent
n/an/a 255n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013818
PNG
(CHEMBL3265272 | US10323013, Compound 32)
Show SMILES Oc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1C=O
Show InChI InChI=1S/C20H16FNO4/c21-13-3-1-12(2-4-13)9-22-8-7-14-15-5-6-18(24)17(11-23)19(15)26-20(25)16(14)10-22/h1-6,11,24H,7-10H2
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n/an/a 303n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013813
PNG
(CHEMBL3265269 | US10323013, Compound 29)
Show SMILES CC(=O)N1CCc2c(C1)c(=O)oc1c(C=O)c(O)ccc21
Show InChI InChI=1S/C15H13NO5/c1-8(18)16-5-4-9-10-2-3-13(19)12(7-17)14(10)21-15(20)11(9)6-16/h2-3,7,19H,4-6H2,1H3
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n/an/a 312n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013812
PNG
(CHEMBL3265268 | US10323013, Compound 28)
Show SMILES Oc1ccc2c3CCNCc3c(=O)oc2c1C1OCCCO1
Show InChI InChI=1S/C16H17NO5/c18-12-3-2-10-9-4-5-17-8-11(9)15(19)22-14(10)13(12)16-20-6-1-7-21-16/h2-3,16-18H,1,4-8H2
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n/an/a 1.23E+3n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM416659
PNG
(US10323013, Compound 37 | allyl 7-(3-ethoxy-3-oxop...)
Show SMILES CCOC(=O)C=Cc1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C
Show InChI InChI=1S/C21H21NO7/c1-3-11-28-21(26)22-10-9-13-14-5-7-17(23)15(6-8-18(24)27-4-2)19(14)29-20(25)16(13)12-22/h3,5-8,23H,1,4,9-12H2,2H3/b8-6+
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US Patent
n/an/a 1.72E+3n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013807
PNG
(CHEMBL3265264 | US10323013, Compound 24)
Show SMILES Oc1ccc2c3CCN(Cc3c(=O)oc2c1C1OCCCO1)C(=O)OCC=C
Show InChI InChI=1S/C20H21NO7/c1-2-8-27-20(24)21-7-6-12-13-4-5-15(22)16(19-25-9-3-10-26-19)17(13)28-18(23)14(12)11-21/h2,4-5,19,22H,1,3,6-11H2
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n/an/a 3.05E+3n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013825
PNG
(CHEMBL3265279 | US10323013, Compound 40)
Show SMILES OC(=O)c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C
Show InChI InChI=1S/C17H15NO7/c1-2-7-24-17(23)18-6-5-9-10-3-4-12(19)13(15(20)21)14(10)25-16(22)11(9)8-18/h2-4,19H,1,5-8H2,(H,20,21)
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n/an/a 4.11E+3n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM416662
PNG
(3-allyl 7-methyl 8-hydroxy-5-oxo-4,5-dihydro-1H-ch...)
Show SMILES COC(=O)C1C2OC(=O)C3=C(CCN(C3)C(=O)OCC=C)C2=CC=C1O
Show InChI InChI=1S/C18H19NO7/c1-3-8-25-18(23)19-7-6-10-11-4-5-13(20)14(17(22)24-2)15(11)26-16(21)12(10)9-19/h3-5,14-15,20H,1,6-9H2,2H3
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n/an/a 5.64E+3n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013808
PNG
(CHEMBL3265265 | US10323013, Compound 25)
Show SMILES Oc1ccc2c3CCN(Cc3c(=O)oc2c1C1SCCCS1)C(=O)OCC=C
Show InChI InChI=1S/C20H21NO5S2/c1-2-8-25-20(24)21-7-6-12-13-4-5-15(22)16(19-27-9-3-10-28-19)17(13)26-18(23)14(12)11-21/h2,4-5,19,22H,1,3,6-11H2
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n/an/a 1.62E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013803
PNG
(CHEMBL3265262 | US10323013, Compound 22)
Show SMILES OCc1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C
Show InChI InChI=1S/C17H17NO6/c1-2-7-23-17(22)18-6-5-10-11-3-4-14(20)13(9-19)15(11)24-16(21)12(10)8-18/h2-4,19-20H,1,5-9H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013821
PNG
(CHEMBL3265275 | US10323013, Compound 35)
Show SMILES COCOc1ccc2c3CCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C
Show InChI InChI=1S/C19H19NO7/c1-3-8-25-19(23)20-7-6-12-13-4-5-16(26-11-24-2)15(10-21)17(13)27-18(22)14(12)9-20/h3-5,10H,1,6-9,11H2,2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013809
PNG
(CHEMBL3265266 | US10323013, Compound 26)
Show SMILES COc1ccc2c3CCN(Cc3c(=O)oc2c1C=O)C(=O)OCC=C
Show InChI InChI=1S/C18H17NO6/c1-3-8-24-18(22)19-7-6-11-12-4-5-15(23-2)14(10-20)16(12)25-17(21)13(11)9-19/h3-5,10H,1,6-9H2,2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM416640
PNG
(US10323013, Compound 23 | allyl 8-hydroxy-7-chloro...)
Show SMILES Oc1ccc2c3CCN(Cc3c(=O)oc2c1Cl)C(=O)OCC=C
Show InChI InChI=1S/C16H14ClNO5/c1-2-7-22-16(21)18-6-5-9-10-3-4-12(19)13(17)14(10)23-15(20)11(9)8-18/h2-4,19H,1,5-8H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013822
PNG
(CHEMBL3265276 | US10323013, Compound 36)
Show SMILES CC(=O)c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C
Show InChI InChI=1S/C18H17NO6/c1-3-8-24-18(23)19-7-6-11-12-4-5-14(21)15(10(2)20)16(12)25-17(22)13(11)9-19/h3-5,21H,1,6-9H2,2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM416660
PNG
(US10323013, Compound 38 | allyl 8-hydroxy-7-(2-(me...)
Show SMILES CS(=O)(=O)C=Cc1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C
Show InChI InChI=1S/C19H19NO7S/c1-3-9-26-19(23)20-8-6-12-13-4-5-16(21)14(7-10-28(2,24)25)17(13)27-18(22)15(12)11-20/h3-5,7,10,21H,1,6,8-9,11H2,2H3/b10-7+
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n/an/a>2.00E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013810
PNG
(CHEMBL3265267 | US10323013, Compound 27)
Show SMILES C=CCOC(=O)N1CCc2c(C1)c(=O)oc1c(C=O)c(OCc3ccccc3)ccc21
Show InChI InChI=1S/C24H21NO6/c1-2-12-29-24(28)25-11-10-17-18-8-9-21(30-15-16-6-4-3-5-7-16)20(14-26)22(18)31-23(27)19(17)13-25/h2-9,14H,1,10-13,15H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50013827
PNG
(CHEMBL3265281 | US10323013, Compound 42)
Show SMILES CON(C)C(=O)c1c(O)ccc2c3CCN(Cc3c(=O)oc12)C(=O)OCC=C
Show InChI InChI=1S/C19H20N2O7/c1-4-9-27-19(25)21-8-7-11-12-5-6-14(22)15(17(23)20(2)26-3)16(12)28-18(24)13(11)10-21/h4-6,22H,1,7-10H2,2-3H3
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UniChem

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US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the alde...


US Patent US10323013 (2019)


BindingDB Entry DOI: 10.7270/Q24J0HH9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%