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Patent code US10167261

Compile Data Set for Download or QSAR
Found 20 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
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313214
PNG
(1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-meth...)
Show SMILES CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)cc(F)c12
Show InChI InChI=1S/C22H25FN2O3S/c1-3-25-21(26)10-14(2)19-11-18(12-20(23)22(19)25)24-29(27,28)13-15-4-6-16(7-5-15)17-8-9-17/h4-7,11-12,14,17,24H,3,8-10,13H2,1-2H3
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US Patent
n/an/a 16n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313213
PNG
(1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-2-oxo-...)
Show SMILES CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)cc(F)c12
Show InChI InChI=1S/C21H23FN2O3S/c1-2-24-20(25)10-9-17-11-18(12-19(22)21(17)24)23-28(26,27)13-14-3-5-15(6-4-14)16-7-8-16/h3-6,11-12,16,23H,2,7-10,13H2,1H3
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n/an/a 21n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313212
PNG
(1-(4-cyclopropylphenyl)-N-(8-fluoro-2-oxo-1-propyl...)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)cc(F)c12
Show InChI InChI=1S/C22H25FN2O3S/c1-2-11-25-21(26)10-9-18-12-19(13-20(23)22(18)25)24-29(27,28)14-15-3-5-16(6-4-15)17-7-8-17/h3-6,12-13,17,24H,2,7-11,14H2,1H3
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n/an/a 28n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313197
PNG
(1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihy...)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)ccc12
Show InChI InChI=1S/C22H26N2O3S/c1-2-13-24-21-11-10-20(14-19(21)9-12-22(24)25)23-28(26,27)15-16-3-5-17(6-4-16)18-7-8-18/h3-6,10-11,14,18,23H,2,7-9,12-13,15H2,1H3
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n/an/a 51n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313209
PNG
(US10167261, Compound 1.179)
Show SMILES CCCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)ccc12
Show InChI InChI=1S/C23H28N2O3S/c1-3-12-25-22-11-10-20(14-21(22)16(2)13-23(25)26)24-29(27,28)15-17-4-6-18(7-5-17)19-8-9-19/h4-7,10-11,14,16,19,24H,3,8-9,12-13,15H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313214
PNG
(1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-meth...)
Show SMILES CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)cc(F)c12
Show InChI InChI=1S/C22H25FN2O3S/c1-3-25-21(26)10-14(2)19-11-18(12-20(23)22(19)25)24-29(27,28)13-15-4-6-16(7-5-15)17-8-9-17/h4-7,11-12,14,17,24H,3,8-10,13H2,1-2H3
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n/an/a 71n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313209
PNG
(US10167261, Compound 1.179)
Show SMILES CCCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)ccc12
Show InChI InChI=1S/C23H28N2O3S/c1-3-12-25-22-11-10-20(14-21(22)16(2)13-23(25)26)24-29(27,28)15-17-4-6-18(7-5-17)19-8-9-19/h4-7,10-11,14,16,19,24H,3,8-9,12-13,15H2,1-2H3
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n/an/a 82n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313198
PNG
(N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-y...)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)cc(Cl)c12
Show InChI InChI=1S/C22H25ClN2O3S/c1-2-11-25-21(26)10-9-18-12-19(13-20(23)22(18)25)24-29(27,28)14-15-3-5-16(6-4-15)17-7-8-17/h3-6,12-13,17,24H,2,7-11,14H2,1H3
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n/an/a 83n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313215
PNG
(1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihy...)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CCCC3)ccc12
Show InChI InChI=1S/C24H30N2O3S/c1-2-15-26-23-13-12-22(16-21(23)11-14-24(26)27)25-30(28,29)17-18-7-9-20(10-8-18)19-5-3-4-6-19/h7-10,12-13,16,19,25H,2-6,11,14-15,17H2,1H3
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n/an/a 97n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313208
PNG
(1-(4-cyclopropylphenyl)-N-(1-ethyl-4-methyl-2-oxo-...)
Show SMILES CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)ccc12
Show InChI InChI=1S/C22H26N2O3S/c1-3-24-21-11-10-19(13-20(21)15(2)12-22(24)25)23-28(26,27)14-16-4-6-17(7-5-16)18-8-9-18/h4-7,10-11,13,15,18,23H,3,8-9,12,14H2,1-2H3
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n/an/a 101n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313208
PNG
(1-(4-cyclopropylphenyl)-N-(1-ethyl-4-methyl-2-oxo-...)
Show SMILES CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)ccc12
Show InChI InChI=1S/C22H26N2O3S/c1-3-24-21-11-10-19(13-20(21)15(2)12-22(24)25)23-28(26,27)14-16-4-6-17(7-5-16)18-8-9-18/h4-7,10-11,13,15,18,23H,3,8-9,12,14H2,1-2H3
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n/an/a 101n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313186
PNG
(US10167261, Compound Quinabactin)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc12
Show InChI InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3
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n/an/a 104n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313198
PNG
(N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-y...)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)cc(Cl)c12
Show InChI InChI=1S/C22H25ClN2O3S/c1-2-11-25-21(26)10-9-18-12-19(13-20(23)22(18)25)24-29(27,28)14-15-3-5-16(6-4-15)17-7-8-17/h3-6,12-13,17,24H,2,7-11,14H2,1H3
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n/an/a 114n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313212
PNG
(1-(4-cyclopropylphenyl)-N-(8-fluoro-2-oxo-1-propyl...)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)cc(F)c12
Show InChI InChI=1S/C22H25FN2O3S/c1-2-11-25-21(26)10-9-18-12-19(13-20(23)22(18)25)24-29(27,28)14-15-3-5-16(6-4-15)17-7-8-17/h3-6,12-13,17,24H,2,7-11,14H2,1H3
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n/an/a 130n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313197
PNG
(1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihy...)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)ccc12
Show InChI InChI=1S/C22H26N2O3S/c1-2-13-24-21-11-10-20(14-19(21)9-12-22(24)25)23-28(26,27)15-16-3-5-17(6-4-16)18-7-8-18/h3-6,10-11,14,18,23H,2,7-9,12-13,15H2,1H3
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n/an/a 177n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313208
PNG
(1-(4-cyclopropylphenyl)-N-(1-ethyl-4-methyl-2-oxo-...)
Show SMILES CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)ccc12
Show InChI InChI=1S/C22H26N2O3S/c1-3-24-21-11-10-19(13-20(21)15(2)12-22(24)25)23-28(26,27)14-16-4-6-17(7-5-16)18-8-9-18/h4-7,10-11,13,15,18,23H,3,8-9,12,14H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR1-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313208
PNG
(1-(4-cyclopropylphenyl)-N-(1-ethyl-4-methyl-2-oxo-...)
Show SMILES CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)ccc12
Show InChI InChI=1S/C22H26N2O3S/c1-3-24-21-11-10-19(13-20(21)15(2)12-22(24)25)23-28(26,27)14-16-4-6-17(7-5-16)18-8-9-18/h4-7,10-11,13,15,18,23H,3,8-9,12,14H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313213
PNG
(1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-2-oxo-...)
Show SMILES CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CC3)cc(F)c12
Show InChI InChI=1S/C21H23FN2O3S/c1-2-24-20(25)10-9-17-11-18(12-19(22)21(17)24)23-28(26,27)13-14-3-5-15(6-4-14)16-7-8-16/h3-6,11-12,16,23H,2,7-10,13H2,1H3
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n/an/a 244n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313186
PNG
(US10167261, Compound Quinabactin)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc12
Show InChI InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3
PDB

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n/an/a 262n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PYR2-HAB1


(Arabidopsis thaliana (Mouse-ear cress))
BDBM313215
PNG
(1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihy...)
Show SMILES CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(cc3)C3CCCC3)ccc12
Show InChI InChI=1S/C24H30N2O3S/c1-2-15-26-23-13-12-22(16-21(23)11-14-24(26)27)25-30(28,29)17-18-7-9-20(10-8-18)19-5-3-4-6-19/h7-10,12-13,16,19,25H,2-6,11,14-15,17H2,1H3
PDB

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UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; SYNGENTA PARTICIPATIONS AG

US Patent


Assay Description
HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obta...


US Patent US10167261 (2019)

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