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Compile Data Set for Download or QSAR

Found 26 hits of ec50 data for polymerid = 50006637   
Target
(Institution)
LigandTarget
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
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120422
PNG
(CHEMBL3617852)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C26H24N2O8S2/c1-35-18-7-11-20(12-8-18)37(31,32)27-24-15-16-25(23-6-4-3-5-22(23)24)28(17-26(29)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,27H,17H2,1-2H3,(H,29,30)
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n/an/an/an/a 29n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50067028
PNG
((1E,4E)-1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta...)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3+,8-4+
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n/an/an/an/a 900n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109398
PNG
(CHEMBL2381968)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/s2
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n/an/an/an/a 2.30E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50006931
PNG
(CHEMBL2402207)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16,25-26H,1-2H3
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n/an/an/an/a 2.70E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50076479
PNG
(CHEMBL3235901)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12
Show InChI InChI=1S/C21H20N4O3S2/c1-13(2)14-7-9-15(10-8-14)30(27,28)25-18-11-19(29-21-22-12-23-24-21)20(26)17-6-4-3-5-16(17)18/h3-13,25-26H,1-2H3,(H,22,23,24)
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n/an/an/an/a 2.90E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50020585
PNG
(CHEMBL3290186)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
Show InChI InChI=1S/C19H16F2O5/c1-25-16-9-11(7-14(20)18(16)23)3-5-13(22)6-4-12-8-15(21)19(24)17(10-12)26-2/h3-10,23-24H,1-2H3/b5-3+,6-4+
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n/an/an/an/a 3.10E+3n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120403
PNG
(CHEMBL3617798)
Show SMILES OC(=O)c1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H10N4O4/c20-15(21)11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(22)23/h1-9H,(H,20,21)
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n/an/an/an/a 5.00E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120418
PNG
(CHEMBL3617787)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C36H49N7O18/c1-17(44)30(35(59)37-16-25(46)39-20(8-11-26(47)48)31(55)42-24(36(60)61)14-19-6-4-3-5-7-19)43-33(57)22(10-13-28(51)52)40-32(56)21(9-12-27(49)50)41-34(58)23(15-29(53)54)38-18(2)45/h3-7,17,20-24,30,44H,8-16H2,1-2H3,(H,37,59)(H,38,45)(H,39,46)(H,40,56)(H,41,58)(H,42,55)(H,43,57)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,60,61)/t17-,20+,21+,22+,23+,24+,30+/s2
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n/an/an/an/a 5.40E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120417
PNG
(CHEMBL3617836)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(I)c1
Show InChI InChI=1S/C14H9IN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H
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n/an/an/an/a 7.10E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50020587
PNG
(CHEMBL3290185)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
Show InChI InChI=1S/C21H18F2O6/c1-28-18-9-12(7-16(22)20(18)26)3-5-14(24)11-15(25)6-4-13-8-17(23)21(27)19(10-13)29-2/h3-10,26-27H,11H2,1-2H3/b5-3+,6-4+
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n/an/an/an/a 8.60E+3n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120415
PNG
(CHEMBL3617834)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H9ClN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H
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n/an/an/an/a 8.80E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120420
PNG
(CHEMBL3134423)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)C(O)=O)o1
Show InChI InChI=1S/C25H18N4O7/c30-23(31)17-5-1-15(2-6-17)21-11-9-19(35-21)13-26-28-25(34)29-27-14-20-10-12-22(36-20)16-3-7-18(8-4-16)24(32)33/h1-14H,(H,30,31)(H,32,33)(H2,28,29,34)/b26-13+,27-14+
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n/an/an/an/a 9.80E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/an/an/a 9.90E+3n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120407
PNG
(CHEMBL3617825)
Show SMILES Cc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O2/c1-11-4-2-6-13(8-11)18-10-15(16-17-18)12-5-3-7-14(9-12)19(20)21/h2-10H,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120411
PNG
(CHEMBL3617829)
Show SMILES CCOc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H14N4O3/c1-2-23-15-8-4-6-13(10-15)19-11-16(17-18-19)12-5-3-7-14(9-12)20(21)22/h3-11H,2H2,1H3
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n/an/an/an/a 1.13E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120402
PNG
(CHEMBL3617796)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H9N5O4/c20-18(21)12-5-1-3-10(7-12)14-9-17(16-15-14)11-4-2-6-13(8-11)19(22)23/h1-9H
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n/an/an/an/a 1.15E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120414
PNG
(CHEMBL3617832)
Show SMILES CN(C)c1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N5O2/c1-19(2)13-6-4-7-14(10-13)20-11-16(17-18-20)12-5-3-8-15(9-12)21(22)23/h3-11H,1-2H3
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n/an/an/an/a 1.27E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120410
PNG
(CHEMBL3617828)
Show SMILES COc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O3/c1-22-14-7-3-5-12(9-14)18-10-15(16-17-18)11-4-2-6-13(8-11)19(20)21/h2-10H,1H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120412
PNG
(CHEMBL3617830)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C15H10N4O4/c20-19(21)12-3-1-2-10(6-12)13-8-18(17-16-13)11-4-5-14-15(7-11)23-9-22-14/h1-8H,9H2
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n/an/an/an/a 1.50E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120419
PNG
(CHEMBL3617788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1/C44H66N12O14/c1-6-22(4)36(42(68)54-30(18-34(59)60)40(66)55-32(43(69)70)16-21(2)3)56-41(67)31(19-35(61)62)53-38(64)28(13-14-33(45)58)52-37(63)27(12-9-15-48-44(46)47)51-39(65)29(50-23(5)57)17-24-20-49-26-11-8-7-10-25(24)26/h7-8,10-11,20-22,27-32,36,49H,6,9,12-19H2,1-5H3,(H2,45,58)(H,50,57)(H,51,65)(H,52,63)(H,53,64)(H,54,68)(H,55,66)(H,56,67)(H,59,60)(H,61,62)(H,69,70)(H4,46,47,48)/t22-,27-,28-,29-,30-,31-,32-,36-/s2
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n/an/an/an/a 1.71E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120405
PNG
(CHEMBL3617824)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C14H10N4O2/c19-18(20)13-8-4-5-11(9-13)14-10-17(16-15-14)12-6-2-1-3-7-12/h1-10H
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n/an/an/an/a 2.06E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120409
PNG
(CHEMBL3617827)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H9F3N4O2/c16-15(17,18)11-4-2-5-12(8-11)21-9-14(19-20-21)10-3-1-6-13(7-10)22(23)24/h1-9H
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n/an/an/an/a 2.26E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


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More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120416
PNG
(CHEMBL3617835)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(Br)c1
Show InChI InChI=1S/C14H9BrN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H
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PubMed
n/an/an/an/a 2.45E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120408
PNG
(CHEMBL3617826)
Show SMILES CC(C)(C)c1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H18N4O2/c1-18(2,3)14-7-5-8-15(11-14)21-12-17(19-20-21)13-6-4-9-16(10-13)22(23)24/h4-12H,1-3H3
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PubMed
n/an/an/an/a 3.78E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120413
PNG
(CHEMBL3617831)
Show SMILES CSc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O2S/c1-22-14-7-3-5-12(9-14)18-10-15(16-17-18)11-4-2-6-13(8-11)19(20)21/h2-10H,1H3
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n/an/an/an/a 3.85E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120421
PNG
(CHEMBL2402206)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)c1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c1=O
Show InChI InChI=1S/C21H18F3N3O4S2/c1-12-7-8-16(13(2)9-12)33(30,31)17-10-25-20(27-19(17)29)32-11-18(28)26-15-6-4-3-5-14(15)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,25,27,29)
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PubMed
n/an/an/an/a 1.18E+5n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


Citation and Details
More data for this
Ligand-Target Pair