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Patent code US10144731

Compile Data Set for Download or QSAR

Found 519 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
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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
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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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304868
PNG
(3-(3-(((R)-8-Cyano-4-methyl-1,1-dioxido-3,4-dihydr...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2)S(=O)(=O)c2cc(ccc2O1)C#N
Show InChI InChI=1S/C28H27N5O5S/c1-17-4-6-20(23(13-28(34)35)21-7-8-25-24(12-21)30-31-32(25)3)11-22(17)16-33-15-18(2)38-26-9-5-19(14-29)10-27(26)39(33,36)37/h4-12,18,23H,13,15-16H2,1-3H3,(H,34,35)/t18-,23?/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304870
PNG
(3-(5-((Dimethylamino)methyl)-4-fluoro-2-methylphen...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(CN(C)C)c(F)cc2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C31H37FN2O5S/c1-6-25-19-34(40(37,38)30-10-8-7-9-29(30)39-25)18-23-14-22(12-11-20(23)2)27(16-31(35)36)26-15-24(17-33(4)5)28(32)13-21(26)3/h7-15,25,27H,6,16-19H2,1-5H3,(H,35,36)/t25-,27?/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304878
PNG
(3-(2,4-Difluorophenyl)-3-(3-((7-(3-(dimethylamino)...)
Show SMILES CC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(F)cc2F)S(=O)(=O)c2ccc(CCCN(C)C)cc2C1
Show InChI InChI=1S/C32H38F2N2O4S/c1-21-14-25-15-23(6-5-13-35(3)4)8-12-31(25)41(39,40)36(19-21)20-26-16-24(9-7-22(26)2)29(18-32(37)38)28-11-10-27(33)17-30(28)34/h7-12,15-17,21,29H,5-6,13-14,18-20H2,1-4H3,(H,37,38)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304881
PNG
(US10144731, Example 189M1 | US10144731, Example 18...)
Show SMILES CC(C(c1ccc(C)c(CN2CCN(C)c3ccccc3S2(=O)=O)c1)c1ccc2n(C)nnc2c1C)C(O)=O
Show InChI InChI=1S/C29H33N5O4S/c1-18-10-11-21(27(20(3)29(35)36)23-12-13-25-28(19(23)2)30-31-33(25)5)16-22(18)17-34-15-14-32(4)24-8-6-7-9-26(24)39(34,37)38/h6-13,16,20,27H,14-15,17H2,1-5H3,(H,35,36)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304758
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H32N4O5S/c1-5-22-17-33(39(36,37)27-9-7-6-8-26(27)38-22)16-21-14-20(11-10-18(21)2)24(15-28(34)35)23-12-13-25-29(19(23)3)30-31-32(25)4/h6-14,22,24H,5,15-17H2,1-4H3,(H,34,35)/t22-,24?/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304900
PNG
(3-(3-(((R)-4-Ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...)
Show SMILES CCCn1cc(CCC(CC(O)=O)c2ccc(C)c(CN3C[C@@H](CC)Oc4ccncc4S3(=O)=O)c2)nn1
Show InChI InChI=1S/C27H35N5O5S/c1-4-12-31-17-23(29-30-31)9-8-21(14-27(33)34)20-7-6-19(3)22(13-20)16-32-18-24(5-2)37-25-10-11-28-15-26(25)38(32,35)36/h6-7,10-11,13,15,17,21,24H,4-5,8-9,12,14,16,18H2,1-3H3,(H,33,34)/t21?,24-/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304905
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES Cc1ccc(cc1CN1CCCc2ccccc2S1(=O)=O)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C28H30N4O4S/c1-18-10-11-21(24(16-27(33)34)23-12-13-25-28(19(23)2)29-30-31(25)3)15-22(18)17-32-14-6-8-20-7-4-5-9-26(20)37(32,35)36/h4-5,7,9-13,15,24H,6,8,14,16-17H2,1-3H3,(H,33,34)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304911
PNG
(3-(4-Cyano-2-methylphenyl)- 3-(3-((7-fluoro-4-meth...)
Show SMILES CC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc(cc2C)C#N)S(=O)(=O)c2ccc(F)cc2C1
Show InChI InChI=1S/C29H29FN2O4S/c1-18-10-23-13-25(30)7-9-28(23)37(35,36)32(16-18)17-24-12-22(6-4-19(24)2)27(14-29(33)34)26-8-5-21(15-31)11-20(26)3/h4-9,11-13,18,27H,10,14,16-17H2,1-3H3,(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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304414
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(CN2CCN(C)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H31N5O5S/c1-18-9-10-19(22(16-27(34)35)20-14-23-28(25(15-20)38-4)32(3)30-29-23)13-21(18)17-33-12-11-31(2)24-7-5-6-8-26(24)39(33,36)37/h5-10,13-15,22H,11-12,16-17H2,1-4H3,(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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304719
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES Cc1ccc(cc1CN1CCOc2ccccc2S1(=O)=O)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C27H28N4O5S/c1-17-8-9-19(22(15-26(32)33)21-10-11-23-27(18(21)2)28-29-30(23)3)14-20(17)16-31-12-13-36-24-6-4-5-7-25(24)37(31,34)35/h4-11,14,22H,12-13,15-16H2,1-3H3,(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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304733
PNG
((S)-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 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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304735
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)c2ccccc2O1
Show InChI InChI=1S/C29H32N4O5S/c1-5-22-17-33(39(36,37)27-9-7-6-8-26(27)38-22)16-21-14-20(11-10-18(21)2)24(15-28(34)35)23-12-13-25-29(19(23)3)30-31-32(25)4/h6-14,22,24H,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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304739
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)c2cccnc2O1
Show InChI InChI=1S/C27H29N5O5S/c1-16-7-8-19(22(13-25(33)34)21-9-10-23-26(18(21)3)29-30-31(23)4)12-20(16)15-32-14-17(2)37-27-24(38(32,35)36)6-5-11-28-27/h5-12,17,22H,13-15H2,1-4H3,(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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304741
PNG
(3-(3-((5-ethyl-1,1-dioxido-4,5-dihydropyrido[2,3-f...)
Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc12
Show InChI InChI=1S/C28H32N6O5S/c1-5-33-11-12-34(40(37,38)25-7-6-10-29-28(25)33)17-21-13-19(9-8-18(21)2)22(16-26(35)36)20-14-23-27(24(15-20)39-4)32(3)31-30-23/h6-10,13-15,22H,5,11-12,16-17H2,1-4H3,(H,35,36)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304744
PNG
(3-(3-((5-ethyl-1,1-dioxido-4,5-dihydrobenzo[f][1,2...)
Show SMILES CCN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C28H31N5O4S/c1-4-32-13-14-33(38(36,37)27-8-6-5-7-26(27)32)18-22-15-20(10-9-19(22)2)23(17-28(34)35)21-11-12-25-24(16-21)29-30-31(25)3/h5-12,15-16,23H,4,13-14,17-18H2,1-3H3,(H,34,35)
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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)

More data for this
Ligand-Target Pair
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 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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304768
PNG
(3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]o...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CCOc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C27H28N4O6S/c1-17-8-9-18(12-20(17)16-31-10-11-37-23-6-4-5-7-25(23)38(31,34)35)21(15-26(32)33)19-13-22-27(24(14-19)36-3)30(2)29-28-22/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304777
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2F)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C26H26FN5O5S/c1-15-13-32(38(35,36)23-5-4-10-28-26(23)37-15)14-18-11-17(6-8-21(18)27)20(12-24(33)34)19-7-9-22-25(16(19)2)29-30-31(22)3/h4-11,15,20H,12-14H2,1-3H3,(H,33,34)/t15-,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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304975
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CN1CCN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2cnccc12
Show InChI InChI=1S/C27H30N6O4S/c1-17-5-6-19(22(14-26(34)35)21-7-8-24-27(18(21)2)29-30-32(24)4)13-20(17)16-33-12-11-31(3)23-9-10-28-15-25(23)38(33,36)37/h5-10,13,15,22H,11-12,14,16H2,1-4H3,(H,34,35)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304978
PNG
(3-(4-chloro-3-(((R)-4-methyl-1,1-dioxido-3,4-dihyd...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2Cl)C(CC(O)=O)c2ccn(C)c(=O)c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C25H25ClN2O6S/c1-16-14-28(35(32,33)23-6-4-3-5-22(23)34-16)15-19-11-17(7-8-21(19)26)20(13-25(30)31)18-9-10-27(2)24(29)12-18/h3-12,16,20H,13-15H2,1-2H3,(H,30,31)/t16-,20?/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304791
PNG
(3-(3-((((cyclopentyloxy)carbonyl)(methyl)amino)met...)
Show SMILES COc1cc(C(CC(O)=O)c2ccc(C)c(CN(C)C(=O)OC3CCCC3)c2)c(C)c2nnn(C)c12
Show InChI InChI=1S/C27H34N4O5/c1-16-10-11-18(12-19(16)15-30(3)27(34)36-20-8-6-7-9-20)22(14-24(32)33)21-13-23(35-5)26-25(17(21)2)28-29-31(26)4/h10-13,20,22H,6-9,14-15H2,1-5H3,(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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304819
PNG
(2-Methyl-3-(1-methyl-1H-benzo[d][1,2,3]triazol-5-y...)
Show SMILES CC(C(c1ccc(C)c(CN(C)S(=O)(=O)c2ccccc2)c1)c1ccc2n(C)nnc2c1)C(O)=O
Show InChI InChI=1S/C26H28N4O4S/c1-17-10-11-19(14-21(17)16-29(3)35(33,34)22-8-6-5-7-9-22)25(18(2)26(31)32)20-12-13-24-23(15-20)27-28-30(24)4/h5-15,18,25H,16H2,1-4H3,(H,31,32)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304828
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)Oc3ccncc3S2(=O)=O)c1
Show InChI InChI=1S/C27H29N5O6S/c1-16-5-6-18(21(12-26(33)34)19-10-22-27(24(11-19)37-4)31(3)30-29-22)9-20(16)15-32-14-17(2)38-23-7-8-28-13-25(23)39(32,35)36/h5-11,13,17,21H,12,14-15H2,1-4H3,(H,33,34)/t17-,21?/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304833
PNG
(3-(1-Ethyl-2-oxo-1,2-dihydropyridin-4-yl)-3-(4-met...)
Show SMILES CCn1ccc(cc1=O)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C27H30N2O6S/c1-4-28-12-11-21(14-26(28)30)23(15-27(31)32)20-10-9-18(2)22(13-20)17-29-16-19(3)35-24-7-5-6-8-25(24)36(29,33)34/h5-14,19,23H,4,15-17H2,1-3H3,(H,31,32)/t19-,23?/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304837
PNG
(3-(7-methoxy-1-methyl-1H-1,2,3-benzotriazol-5-yl)-...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN(C)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H28N4O5S/c1-17-10-11-18(12-20(17)16-29(2)36(33,34)21-8-6-5-7-9-21)22(15-25(31)32)19-13-23-26(24(14-19)35-4)30(3)28-27-23/h5-14,22H,15-16H2,1-4H3,(H,31,32)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304840
PNG
((4R)-2-(5-(1-(1,4-Dimethyl-1H-benzo[d][1,2,3]triaz...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(Cc2nnn[nH]2)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C28H30N8O3S/c1-17-9-10-20(13-21(17)16-36-15-18(2)39-25-7-5-6-8-26(25)40(36,37)38)23(14-27-29-32-33-30-27)22-11-12-24-28(19(22)3)31-34-35(24)4/h5-13,18,23H,14-16H2,1-4H3,(H,29,30,32,33)/t18-,23?/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304867
PNG
(3-(3-(((R)-8-Chloro-4-methyl-1,1-dioxido-3,4-dihyd...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2)S(=O)(=O)c2cc(Cl)ccc2O1
Show InChI InChI=1S/C27H27ClN4O5S/c1-16-4-5-18(22(13-27(33)34)19-6-8-24-23(11-19)29-30-31(24)3)10-20(16)15-32-14-17(2)37-25-9-7-21(28)12-26(25)38(32,35)36/h4-12,17,22H,13-15H2,1-3H3,(H,33,34)/t17-,22?/m1/s1
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304873
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES Cc1ccc(cc1CN1Cc2ccccc2CCS1(=O)=O)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C28H30N4O4S/c1-18-8-9-21(25(15-27(33)34)24-10-11-26-28(19(24)2)29-30-31(26)3)14-23(18)17-32-16-22-7-5-4-6-20(22)12-13-37(32,35)36/h4-11,14,25H,12-13,15-17H2,1-3H3,(H,33,34)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304876
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES Cc1ccc(cc1CN1CC2CCCCC2CCS1(=O)=O)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C28H36N4O4S/c1-18-8-9-21(25(15-27(33)34)24-10-11-26-28(19(24)2)29-30-31(26)3)14-23(18)17-32-16-22-7-5-4-6-20(22)12-13-37(32,35)36/h8-11,14,20,22,25H,4-7,12-13,15-17H2,1-3H3,(H,33,34)
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US Patent
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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304881
PNG
(US10144731, Example 189M1 | US10144731, Example 18...)
Show SMILES CC(C(c1ccc(C)c(CN2CCN(C)c3ccccc3S2(=O)=O)c1)c1ccc2n(C)nnc2c1C)C(O)=O
Show InChI InChI=1S/C29H33N5O4S/c1-18-10-11-21(27(20(3)29(35)36)23-12-13-25-28(19(23)2)30-31-33(25)5)16-22(18)17-34-15-14-32(4)24-8-6-7-9-26(24)39(34,37)38/h6-13,16,20,27H,14-15,17H2,1-5H3,(H,35,36)
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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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304758
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H32N4O5S/c1-5-22-17-33(39(36,37)27-9-7-6-8-26(27)38-22)16-21-14-20(11-10-18(21)2)24(15-28(34)35)23-12-13-25-29(19(23)3)30-31-32(25)4/h6-14,22,24H,5,15-17H2,1-4H3,(H,34,35)/t22-,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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304902
PNG
(3-(3-(((R)-4-Ethyl-1,1-dioxido-3,4-dihydro-2H-benz...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(C)c2cn(CC)nn2)CC(O)=O)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C28H36N4O5S/c1-5-24-17-32(38(35,36)27-10-8-7-9-26(27)37-24)16-23-14-21(12-11-19(23)3)22(15-28(33)34)13-20(4)25-18-31(6-2)30-29-25/h7-12,14,18,20,22,24H,5-6,13,15-17H2,1-4H3,(H,33,34)/t20?,22?,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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304912
PNG
(3-(4-Cyano-2-methylphenyl)- 3-(3-((7-methoxy-4-met...)
Show SMILES COc1ccc2c(CC(C)CN(Cc3cc(ccc3C)C(CC(O)=O)c3ccc(cc3C)C#N)S2(=O)=O)c1
Show InChI InChI=1S/C30H32N2O5S/c1-19-11-24-14-26(37-4)8-10-29(24)38(35,36)32(17-19)18-25-13-23(7-5-20(25)2)28(15-30(33)34)27-9-6-22(16-31)12-21(27)3/h5-10,12-14,19,28H,11,15,17-18H2,1-4H3,(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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304889
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)CC(O)=O)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C27H34N4O5S/c1-4-24-18-31(37(34,35)26-9-7-6-8-25(26)36-24)16-22-14-20(11-10-19(22)3)21(15-27(32)33)12-13-23-17-30(5-2)29-28-23/h6-11,14,17,21,24H,4-5,12-13,15-16,18H2,1-3H3,(H,32,33)/t21?,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)

More data for this
Ligand-Target Pair
Keap1 (321-609)


(Homo sapiens (human))
BDBM304923
PNG
(5-(1-Ethyl-1H-1,2,3-triazol-4-yl)-3-(3-((8-fluoro-...)
Show SMILES CCn1cc(CCC(CC(O)=O)c2ccc(C)c(CN3CC(C)Cc4ccc(F)cc4S3(=O)=O)c2)nn1
Show InChI InChI=1S/C27H33FN4O4S/c1-4-31-17-25(29-30-31)10-8-21(13-27(33)34)20-6-5-19(3)23(12-20)16-32-15-18(2)11-22-7-9-24(28)14-26(22)37(32,35)36/h5-7,9,12,14,17-18,21H,4,8,10-11,13,15-16H2,1-3H3,(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)

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)

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)

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)

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)

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