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Compile Data Set for Download or QSAR

Found 986 hits with Last Name = 'norton' and Initial = 'd'   
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
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304755
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C29H33N5O5S/c1-5-22-17-33(40(37,38)26-8-7-13-30-29(26)39-22)16-21-14-20(10-9-18(21)3)24(15-27(35)36)23-11-12-25-28(19(23)4)31-32-34(25)6-2/h7-14,22,24H,5-6,15-17H2,1-4H3,(H,35,36)/t22-,24?/m1/s1
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304740
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2cccnc12
Show InChI InChI=1S/C28H32N6O4S/c1-5-33-13-14-34(39(37,38)25-7-6-12-29-28(25)33)17-21-15-20(9-8-18(21)2)23(16-26(35)36)22-10-11-24-27(19(22)3)30-31-32(24)4/h6-12,15,23H,5,13-14,16-17H2,1-4H3,(H,35,36)
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304887
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-benz...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CCc2cn(CC)nn2)C(C)C(O)=O)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C28H36N4O5S/c1-5-24-18-32(38(35,36)27-10-8-7-9-26(27)37-24)16-22-15-21(12-11-19(22)3)25(20(4)28(33)34)14-13-23-17-31(6-2)30-29-23/h7-12,15,17,20,24-25H,5-6,13-14,16,18H2,1-4H3,(H,33,34)/t20?,24-,25?/m1/s1
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304738
PNG
(3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C28H31N5O6S/c1-5-21-16-33(40(36,37)25-7-6-10-29-28(25)39-21)15-20-11-18(9-8-17(20)2)22(14-26(34)35)19-12-23-27(24(13-19)38-4)32(3)31-30-23/h6-13,21-22H,5,14-16H2,1-4H3,(H,34,35)
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304737
PNG
(3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-benzo[b]...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H32N4O6S/c1-5-22-17-33(40(36,37)27-9-7-6-8-25(27)39-22)16-21-12-19(11-10-18(21)2)23(15-28(34)35)20-13-24-29(26(14-20)38-4)32(3)31-30-24/h6-14,22-23H,5,15-17H2,1-4H3,(H,34,35)
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304736
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C28H31N5O5S/c1-5-21-16-33(39(36,37)25-7-6-12-29-28(25)38-21)15-20-13-19(9-8-17(20)2)23(14-26(34)35)22-10-11-24-27(18(22)3)30-31-32(24)4/h6-13,21,23H,5,14-16H2,1-4H3,(H,34,35)
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304734
PNG
((R)-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)[C@@H](CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C28H30N4O5S/c1-17-9-10-20(23(14-27(33)34)22-11-12-24-28(19(22)3)29-30-31(24)4)13-21(17)16-32-15-18(2)37-25-7-5-6-8-26(25)38(32,35)36/h5-13,18,23H,14-16H2,1-4H3,(H,33,34)/t18-,23-/m1/s1
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304732
PNG
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C27H29N5O6S/c1-16-7-8-18(21(13-25(33)34)19-11-22-26(23(12-19)37-4)31(3)30-29-22)10-20(16)15-32-14-17(2)38-27-24(39(32,35)36)6-5-9-28-27/h5-12,17,21H,13-15H2,1-4H3,(H,33,34)/t17-,21?/m1/s1
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304725
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C28H30N4O5S/c1-17-9-10-20(23(14-27(33)34)22-11-12-24-28(19(22)3)29-30-31(24)4)13-21(17)16-32-15-18(2)37-25-7-5-6-8-26(25)38(32,35)36/h5-13,18,23H,14-16H2,1-4H3,(H,33,34)/t18-,23?/m1/s1
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304727
PNG
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22?/m1/s1
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304730
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C29H33N5O4S/c1-5-33-14-15-34(39(37,38)27-9-7-6-8-25(27)33)18-22-16-21(11-10-19(22)2)24(17-28(35)36)23-12-13-26-29(20(23)3)30-31-32(26)4/h6-13,16,24H,5,14-15,17-18H2,1-4H3,(H,35,36)
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n/an/a<10n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM183589
PNG
(US9145354, 241)
Show SMILES CC[C@@H](N[C@H](C)CC(=O)NCCN)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F
Show InChI InChI=1S/C21H27ClFN5O2/c1-3-16(28-12(2)10-18(29)26-9-8-24)14-5-6-15(22)19(20(14)23)21(30)13-4-7-17(25)27-11-13/h4-7,11-12,16,28H,3,8-10,24H2,1-2H3,(H2,25,27)(H,26,29)/t12-,16-/m1/s1
PDB
MMDB

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US Patent
n/an/a 36n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...


US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM183547
PNG
(US9145354, 182)
Show SMILES CC[C@H](NCCCO)c1ccc(Cl)c(C(=O)c2ccccc2)c1F
Show InChI InChI=1S/C19H21ClFNO2/c1-2-16(22-11-6-12-23)14-9-10-15(20)17(18(14)21)19(24)13-7-4-3-5-8-13/h3-5,7-10,16,22-23H,2,6,11-12H2,1H3/t16-/m0/s1
PDB
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n/an/a 38n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...


US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM183530
PNG
(US9145354, 157)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(F)c(C(=O)c2ccccc2)c1F
Show InChI InChI=1S/C20H22F2N2O2/c1-3-16(24-12(2)11-17(23)25)14-9-10-15(21)18(19(14)22)20(26)13-7-5-4-6-8-13/h4-10,12,16,24H,3,11H2,1-2H3,(H2,23,25)/t12-,16+/m0/s1
PDB
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n/an/a 45n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...


US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM183490
PNG
(US9145354, 97)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(F)cc2)c1F
Show InChI InChI=1S/C20H21ClF2N2O2/c1-3-16(25-11(2)10-17(24)26)14-8-9-15(21)18(19(14)23)20(27)12-4-6-13(22)7-5-12/h4-9,11,16,25H,3,10H2,1-2H3,(H2,24,26)/t11-,16+/m0/s1
PDB
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n/an/a 47n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...


US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM183527
PNG
(US9145354, 152)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccccc2)c1F
Show InChI InChI=1S/C21H25FN2O3/c1-4-16(24-13(2)12-18(23)25)15-10-11-17(27-3)19(20(15)22)21(26)14-8-6-5-7-9-14/h5-11,13,16,24H,4,12H2,1-3H3,(H2,23,25)/t13-,16+/m0/s1
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n/an/a 51n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...


US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM183469
PNG
(US9145354, 69)
Show SMILES COc1cc(ccc1C#N)C(=O)c1c(Cl)ccc([C@H](N)C2CC2)c1F
Show InChI InChI=1S/C19H16ClFN2O2/c1-25-15-8-11(4-5-12(15)9-22)19(24)16-14(20)7-6-13(17(16)21)18(23)10-2-3-10/h4-8,10,18H,2-3,23H2,1H3/t18-/m1/s1
PDB
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n/an/a 52n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...


US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304924
PNG
(3-(3-((7-(3-Aminopropyl)-4-methyl-1,1-dioxido-4,5-...)
Show SMILES CC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2)S(=O)(=O)c2ccc(CCCN)cc2C1
Show InChI InChI=1S/C31H37N5O4S/c1-20-13-25-14-22(5-4-12-32)7-11-30(25)41(39,40)36(18-20)19-26-15-23(8-6-21(26)2)27(17-31(37)38)24-9-10-29-28(16-24)33-34-35(29)3/h6-11,14-16,20,27H,4-5,12-13,17-19,32H2,1-3H3,(H,37,38)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304925
PNG
(3-(4-Cyano-2-methylphenyl)-3-(3-((4-ethyl-1,1-diox...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(cc2C)C#N)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H30N2O5S/c1-4-24-18-31(37(34,35)28-8-6-5-7-27(28)36-24)17-23-14-22(11-9-19(23)2)26(15-29(32)33)25-12-10-21(16-30)13-20(25)3/h5-14,24,26H,4,15,17-18H2,1-3H3,(H,32,33)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304926
PNG
(3-(4-Cyano-2-methylphenyl)-3-(3-((4-ethyl-1,1-diox...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(cc2C)C#N)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C28H29N3O5S/c1-4-23-17-31(37(34,35)26-6-5-11-30-28(26)36-23)16-22-13-21(9-7-18(22)2)25(14-27(32)33)24-10-8-20(15-29)12-19(24)3/h5-13,23,25H,4,14,16-17H2,1-3H3,(H,32,33)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304927
PNG
(3-(4-Cyano-2-methylphenyl)-3-(4-methyl-3-(((R)-4-m...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(cc2C)C#N)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C28H28N2O5S/c1-18-8-10-22(25(14-28(31)32)24-11-9-21(15-29)12-19(24)2)13-23(18)17-30-16-20(3)35-26-6-4-5-7-27(26)36(30,33)34/h4-13,20,25H,14,16-17H2,1-3H3,(H,31,32)/t20-,25?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304928
PNG
(3-(3,4-Difluorophenyl)-3-(4-methyl-3-(((R)-4-methy...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(F)c(F)c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C26H25F2NO5S/c1-16-7-8-18(21(13-26(30)31)19-9-10-22(27)23(28)12-19)11-20(16)15-29-14-17(2)34-24-5-3-4-6-25(24)35(29,32)33/h3-12,17,21H,13-15H2,1-2H3,(H,30,31)/t17-,21?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304934
PNG
(3-(4-Fluoro-2-methylphenyl)-3-(4-methyl-3-(((R)-4-...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(F)cc2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C27H28FNO5S/c1-17-8-9-20(24(14-27(30)31)23-11-10-22(28)12-18(23)2)13-21(17)16-29-15-19(3)34-25-6-4-5-7-26(25)35(29,32)33/h4-13,19,24H,14-16H2,1-3H3,(H,30,31)/t19-,24?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304935
PNG
(3-(4-Chloro-2-methylphenyl)-3-(4-methyl-3-(((R)-4-...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C27H28ClNO5S/c1-17-8-9-20(24(14-27(30)31)23-11-10-22(28)12-18(23)2)13-21(17)16-29-15-19(3)34-25-6-4-5-7-26(25)35(29,32)33/h4-13,19,24H,14-16H2,1-3H3,(H,30,31)/t19-,24?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304936
PNG
(3-(4-Chlorophenyl)-3-(4-methyl-3-(((R)-4-methyl-1,...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C26H26ClNO5S/c1-17-7-8-20(23(14-26(29)30)19-9-11-22(27)12-10-19)13-21(17)16-28-15-18(2)33-24-5-3-4-6-25(24)34(28,31)32/h3-13,18,23H,14-16H2,1-2H3,(H,29,30)/t18-,23?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304937
PNG
(3-(4-Carbamoyl-2-methylphenyl)-3-(3-(((R)-4-ethyl-...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(NC=O)cc2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C28H30N2O6S/c1-3-24-17-30(37(34,35)27-7-5-4-6-26(27)36-24)16-22-14-21(9-8-19(22)2)25(15-28(32)33)20-10-12-23(13-11-20)29-18-31/h4-14,18,24-25H,3,15-17H2,1-2H3,(H,29,31)(H,32,33)/t24-,25?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304938
PNG
(3-(4-Acetylphenyl)-3-(4-methyl-3-(((R)-4-methyl-1,...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(cc2)C(C)=O)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C28H29NO6S/c1-18-8-9-23(25(15-28(31)32)22-12-10-21(11-13-22)20(3)30)14-24(18)17-29-16-19(2)35-26-6-4-5-7-27(26)36(29,33)34/h4-14,19,25H,15-17H2,1-3H3,(H,31,32)/t19-,25?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304940
PNG
(3-(1-(2-((Tert-butoxycarbonyl)amino)ethyl)-1H-benz...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CCNC(=O)OC(C)(C)C)nnc3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C33H39N5O7S/c1-21-10-11-23(16-25(21)20-37-19-22(2)44-29-8-6-7-9-30(29)46(37,42)43)26(18-31(39)40)24-12-13-28-27(17-24)35-36-38(28)15-14-34-32(41)45-33(3,4)5/h6-13,16-17,22,26H,14-15,18-20H2,1-5H3,(H,34,41)(H,39,40)/t22-,26?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304941
PNG
(3-(4-Methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihyd...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3CCC(=O)c3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H29NO6S/c1-18-7-8-21(24(15-29(32)33)22-10-9-20-11-12-26(31)25(20)14-22)13-23(18)17-30-16-19(2)36-27-5-3-4-6-28(27)37(30,34)35/h3-10,13-14,19,24H,11-12,15-17H2,1-2H3,(H,32,33)/t19-,24?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304942
PNG
(3-(1-(3-((Tert-butoxycarbonyl)amino)propyl)-1H-ben...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CCCNC(=O)OC(C)(C)C)nnc3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C34H41N5O7S/c1-22-11-12-24(17-26(22)21-38-20-23(2)45-30-9-6-7-10-31(30)47(38,43)44)27(19-32(40)41)25-13-14-29-28(18-25)36-37-39(29)16-8-15-35-33(42)46-34(3,4)5/h6-7,9-14,17-18,23,27H,8,15-16,19-21H2,1-5H3,(H,35,42)(H,40,41)/t23-,27?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304943
PNG
(3-(4-Methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihyd...)
Show SMILES CSc1ccc(cc1)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C27H29NO5S2/c1-18-8-9-21(24(15-27(29)30)20-10-12-23(34-3)13-11-20)14-22(18)17-28-16-19(2)33-25-6-4-5-7-26(25)35(28,31)32/h4-14,19,24H,15-17H2,1-3H3,(H,29,30)/t19-,24?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304944
PNG
(3-(4-Methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihyd...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3C(=O)CCc3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H29NO6S/c1-18-7-8-21(25(15-29(32)33)22-9-11-24-20(13-22)10-12-26(24)31)14-23(18)17-30-16-19(2)36-27-5-3-4-6-28(27)37(30,34)35/h3-9,11,13-14,19,25H,10,12,15-17H2,1-2H3,(H,32,33)/t19-,25?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304945
PNG
(3-(2,4-Difluorophenyl)-3-(3-(((R)-4-ethyl-1,1-diox...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(F)cc2F)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C27H27F2NO5S/c1-3-21-16-30(36(33,34)26-7-5-4-6-25(26)35-21)15-19-12-18(9-8-17(19)2)23(14-27(31)32)22-11-10-20(28)13-24(22)29/h4-13,21,23H,3,14-16H2,1-2H3,(H,31,32)/t21-,23?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304946
PNG
(3-(2,4-Difluorophenyl)-3-(4-methyl-3-(((R)-4-methy...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(F)cc2F)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C26H25F2NO5S/c1-16-7-8-18(22(13-26(30)31)21-10-9-20(27)12-23(21)28)11-19(16)15-29-14-17(2)34-24-5-3-4-6-25(24)35(29,32)33/h3-12,17,22H,13-15H2,1-2H3,(H,30,31)/t17-,22?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304948
PNG
(3-(4-Acetyl-2-methylphenyl)-3-(4-methyl-3-(((R)-4-...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(cc2C)C(C)=O)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H31NO6S/c1-18-9-10-23(26(15-29(32)33)25-12-11-22(21(4)31)13-19(25)2)14-24(18)17-30-16-20(3)36-27-7-5-6-8-28(27)37(30,34)35/h5-14,20,26H,15-17H2,1-4H3,(H,32,33)/t20-,26?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304949
PNG
(3-(4-Acetyl-2-methylphenyl)-3-(3-(((R)-4-ethyl-1,1...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(cc2C)C(C)=O)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C30H33NO6S/c1-5-25-18-31(38(35,36)29-9-7-6-8-28(29)37-25)17-24-15-23(11-10-19(24)2)27(16-30(33)34)26-13-12-22(21(4)32)14-20(26)3/h6-15,25,27H,5,16-18H2,1-4H3,(H,33,34)/t25-,27?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304950
PNG
(3-(2-Methyl-1-oxoisoindolin-5-yl)-3-(4-methyl-3-((...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3C(=O)N(C)Cc3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H30N2O6S/c1-18-8-9-20(25(14-28(32)33)21-10-11-24-23(13-21)16-30(3)29(24)34)12-22(18)17-31-15-19(2)37-26-6-4-5-7-27(26)38(31,35)36/h4-13,19,25H,14-17H2,1-3H3,(H,32,33)/t19-,25?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304951
PNG
(3-(2,2-Dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)-3...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3C(=O)C(C)(C)Cc3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C31H33NO6S/c1-19-9-10-21(26(15-29(33)34)22-11-12-25-23(13-22)16-31(3,4)30(25)35)14-24(19)18-32-17-20(2)38-27-7-5-6-8-28(27)39(32,36)37/h5-14,20,26H,15-18H2,1-4H3,(H,33,34)/t20-,26?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304952
PNG
(3-(2-Ethyl-1,3-dioxoisoindolin-5-yl)-3-(4-methyl-3...)
Show SMILES CCN1C(=O)c2ccc(cc2C1=O)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C30H30N2O7S/c1-4-32-29(35)23-12-11-21(14-25(23)30(32)36)24(15-28(33)34)20-10-9-18(2)22(13-20)17-31-16-19(3)39-26-7-5-6-8-27(26)40(31,37)38/h5-14,19,24H,4,15-17H2,1-3H3,(H,33,34)/t19-,24?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304953
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-benz...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3C(=O)N(CC)C(=O)c3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C31H32N2O7S/c1-4-23-18-32(41(38,39)28-9-7-6-8-27(28)40-23)17-22-14-20(11-10-19(22)3)25(16-29(34)35)21-12-13-24-26(15-21)31(37)33(5-2)30(24)36/h6-15,23,25H,4-5,16-18H2,1-3H3,(H,34,35)/t23-,25?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304961
PNG
(2-{4,32-Dimethyl-30,30-dioxo-23-oxa-30λ6-thia...)
Show SMILES Cc1ccc2cc1CN1CC(CCCCCn3nnc4c(C)c(ccc34)C2CC(O)=O)Oc2ccccc2S1(=O)=O
Show InChI InChI=1S/C31H34N4O5S/c1-20-11-12-22-16-23(20)18-34-19-24(40-28-9-5-6-10-29(28)41(34,38)39)8-4-3-7-15-35-27-14-13-25(26(22)17-30(36)37)21(2)31(27)32-33-35/h5-6,9-14,16,24,26H,3-4,7-8,15,17-19H2,1-2H3,(H,36,37)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304964
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(c2ccc3n(C)nnc3c2C)C(C)(C)C(O)=O)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C31H36N4O5S/c1-7-23-18-35(41(38,39)27-11-9-8-10-26(27)40-23)17-22-16-21(13-12-19(22)2)28(31(4,5)30(36)37)24-14-15-25-29(20(24)3)32-33-34(25)6/h8-16,23,28H,7,17-18H2,1-6H3,(H,36,37)/t23-,28?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304965
PNG
((S)-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)[C@@H](c2ccc3n(C)nnc3c2C)C(C)(C)C(O)=O)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C31H36N4O5S/c1-7-23-18-35(41(38,39)27-11-9-8-10-26(27)40-23)17-22-16-21(13-12-19(22)2)28(31(4,5)30(36)37)24-14-15-25-29(20(24)3)32-33-34(25)6/h8-16,23,28H,7,17-18H2,1-6H3,(H,36,37)/t23-,28+/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304844
PNG
(5-(1-Ethyl-1H-1,2,3-triazol-4-yl)-3-(4-methyl-3-((...)
Show SMILES CCn1cc(CCC(CC(O)=O)c2ccc(C)c(CN3CC(C)Cc4ccncc4S3(=O)=O)c2)nn1
Show InChI InChI=1S/C26H33N5O4S/c1-4-30-17-24(28-29-30)8-7-21(13-26(32)33)20-6-5-19(3)23(12-20)16-31-15-18(2)11-22-9-10-27-14-25(22)36(31,34)35/h5-6,9-10,12,14,17-18,21H,4,7-8,11,13,15-16H2,1-3H3,(H,32,33)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304845
PNG
(5-(1-Ethyl-1H-1,2,3-triazol-4-yl)-3-(4-methyl-3-((...)
Show SMILES CCn1cc(CCC(CC(O)=O)c2ccc(C)c(CN3C[C@@H](C)Oc4cnccc4S3(=O)=O)c2)nn1
Show InChI InChI=1S/C25H31N5O5S/c1-4-29-16-22(27-28-29)8-7-20(12-25(31)32)19-6-5-17(2)21(11-19)15-30-14-18(3)35-23-13-26-10-9-24(23)36(30,33)34/h5-6,9-11,13,16,18,20H,4,7-8,12,14-15H2,1-3H3,(H,31,32)/t18-,20?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304846
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccncc2O1
Show InChI InChI=1S/C27H29N5O5S/c1-16-5-6-19(22(12-26(33)34)21-7-8-23-27(18(21)3)29-30-31(23)4)11-20(16)15-32-14-17(2)37-24-13-28-10-9-25(24)38(32,35)36/h5-11,13,17,22H,12,14-15H2,1-4H3,(H,33,34)/t17-,22?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304847
PNG
(3-(7-Methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CC(C)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H30N4O5S/c1-17-9-10-19(11-21(17)16-32-15-18(2)22-7-5-6-8-26(22)38(32,35)36)23(14-27(33)34)20-12-24-28(25(13-20)37-4)31(3)30-29-24/h5-13,18,23H,14-16H2,1-4H3,(H,33,34)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304848
PNG
(3-(3-((4-Ethyl-1,1-dioxido-3,4-dihydro-2H-benzo[e]...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C29H32N4O5S/c1-5-19-16-33(39(36,37)27-9-7-6-8-23(19)27)17-22-12-20(11-10-18(22)2)24(15-28(34)35)21-13-25-29(26(14-21)38-4)32(3)31-30-25/h6-14,19,24H,5,15-17H2,1-4H3,(H,34,35)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304850
PNG
(3-(3-((7-(3-(Dimethylamino)propyl)-4-methyl-1,1-di...)
Show SMILES CC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(F)cc2C)S(=O)(=O)c2ccc(CCCN(C)C)cc2C1
Show InChI InChI=1S/C33H41FN2O4S/c1-22-15-27-17-25(7-6-14-35(4)5)9-13-32(27)41(39,40)36(20-22)21-28-18-26(10-8-23(28)2)31(19-33(37)38)30-12-11-29(34)16-24(30)3/h8-13,16-18,22,31H,6-7,14-15,19-21H2,1-5H3,(H,37,38)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (Human))
BDBM304851
PNG
(3-(4-Methyl-3-(((S)-4-methyl-1,1-dioxido-3,4-dihyd...)
Show SMILES CNC(=O)CCC1CC(=O)O[C@H]2CN(Cc3cc1ccc3C)S(=O)(=O)c1ccccc1O2
Show InChI InChI=1S/C23H26N2O6S/c1-15-7-8-16-11-18(15)13-25-14-23(30-19-5-3-4-6-20(19)32(25,28)29)31-22(27)12-17(16)9-10-21(26)24-2/h3-8,11,17,23H,9-10,12-14H2,1-2H3,(H,24,26)/t17?,23-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

US Patent


Assay Description
100 nL of 100 compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...


US Patent US10144731 (2018)


Article DOI: 10.1021/jm061152t
More data for this
Ligand-Target Pair
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