Compile Data Set for Download or QSAR

Found 241 hits of ic50 data for polymerid = 50006637   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568484 (CHEMBL4865999) Show SMILES O=S(=O)(N(Cc1nnn[nH]1)c1ccc(N(Cc2nnn[nH]2)S(=O)(=O)c2ccc3OCCOc3c2)c2ccccc12)c1ccc2OCCOc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568478 (CHEMBL4860663) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2cc3OCCOc3cc2Cl)c2ccccc12)S(=O)(=O)c1cc2OCCOc2cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50321036 (CHEMBL4160447) Show SMILES C[C@H](Oc1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@@H]1C[C@H]1c1cn(C)nn1)C1CCCCC1 |r| Show InChI InChI=1S/C30H33N5O3/c1-19(20-8-4-3-5-9-20)38-24-13-7-11-22(15-24)21-10-6-12-23(14-21)35-29(27(17-31-35)30(36)37)26-16-25(26)28-18-34(2)33-32-28/h6-7,10-15,17-20,25-26H,3-5,8-9,16H2,1-2H3,(H,36,37)/t19-,25+,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of Keap1 kelch domain (unknow origin)/Nrf2-ETGE peptide (unknown origin) interaction by fluorescence polarization assay				J Med Chem 61: 8088-8103 (2018) Article DOI: 10.1021/acs.jmedchem.8b00358 BindingDB Entry DOI: 10.7270/Q2CJ8H17
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50321027 (CHEMBL4175603) Show SMILES CCCC[C@@H]1CCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 |r| Show InChI InChI=1S/C28H31N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h4-5,7-9,11,16-19,23H,2-3,6,10,12-15H2,1H3,(H,33,34)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of full length Flag/His-tagged Keap1 kelch domain (unknown origin)/full length Avi-tagged Nrf2 (unknown origin) interaction after 2.25 hrs...				J Med Chem 61: 8088-8103 (2018) Article DOI: 10.1021/acs.jmedchem.8b00358 BindingDB Entry DOI: 10.7270/Q2CJ8H17
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50321036 (CHEMBL4160447) Show SMILES C[C@H](Oc1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@@H]1C[C@H]1c1cn(C)nn1)C1CCCCC1 |r| Show InChI InChI=1S/C30H33N5O3/c1-19(20-8-4-3-5-9-20)38-24-13-7-11-22(15-24)21-10-6-12-23(14-21)35-29(27(17-31-35)30(36)37)26-16-25(26)28-18-34(2)33-32-28/h6-7,10-15,17-20,25-26H,3-5,8-9,16H2,1-2H3,(H,36,37)/t19-,25+,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of full length Flag/His-tagged Keap1 kelch domain (unknown origin)/full length Avi-tagged Nrf2 (unknown origin) interaction after 2.25 hrs...				J Med Chem 61: 8088-8103 (2018) Article DOI: 10.1021/acs.jmedchem.8b00358 BindingDB Entry DOI: 10.7270/Q2CJ8H17
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568482 (CHEMBL4858288) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1nnn[nH]1)c1ccc(N(Cc2nnn[nH]2)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568475 (CHEMBL4846463) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)N2C(=O)c3ccccc3C2=O)c2ccccc12)S(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109368 (CHEMBL3601212) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12 Show InChI InChI=1S/C30H28N4O10S2/c1-19(35)31-21-7-11-23(12-8-21)45(41,42)33(17-29(37)38)27-15-16-28(26-6-4-3-5-25(26)27)34(18-30(39)40)46(43,44)24-13-9-22(10-14-24)32-20(2)36/h3-16H,17-18H2,1-2H3,(H,31,35)(H,32,36)(H,37,38)(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain/FITC-9mer Nrf2 (unknown origin) interaction after 30 mins by fluorescence polarization assay				ACS Med Chem Lett 7: 835-40 (2016) Article DOI: 10.1021/acsmedchemlett.5b00407 BindingDB Entry DOI: 10.7270/Q2ZK5M5R
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109368 (CHEMBL3601212) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12 Show InChI InChI=1S/C30H28N4O10S2/c1-19(35)31-21-7-11-23(12-8-21)45(41,42)33(17-29(37)38)27-15-16-28(26-6-4-3-5-25(26)27)34(18-30(39)40)46(43,44)24-13-9-22(10-14-24)32-20(2)36/h3-16H,17-18H2,1-2H3,(H,31,35)(H,32,36)(H,37,38)(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50535176 (CHEMBL4544116) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1nn[nH]n1)c1ccc(N(Cc2nn[nH]n2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12 Show InChI InChI=1S/C30H28N12O6S2/c1-19(43)31-21-7-11-23(12-8-21)49(45,46)41(17-29-33-37-38-34-29)27-15-16-28(26-6-4-3-5-25(26)27)42(18-30-35-39-40-36-30)50(47,48)24-13-9-22(10-14-24)32-20(2)44/h3-16H,17-18H2,1-2H3,(H,31,43)(H,32,44)(H,33,34,37,38)(H,35,36,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain/FITC-9mer Nrf2 (unknown origin) interaction after 30 mins by fluorescence polarization assay				ACS Med Chem Lett 7: 835-40 (2016) Article DOI: 10.1021/acsmedchemlett.5b00407 BindingDB Entry DOI: 10.7270/Q2ZK5M5R
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109404 (CHEMBL3601208) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O8S2/c1-19-7-11-21(12-8-19)39(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)40(37,38)22-13-9-20(2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50200461 (CHEMBL3946369) Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C49H83N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38(58)52-35(29-42(64)65)48(70)56-27-20-21-37(56)46(68)53-34(24-26-41(62)63)45(67)55-43(32(4)57)47(69)50-30-39(59)51-33(23-25-40(60)61)44(66)54-36(49(71)72)28-31(2)3/h31-37,43,57H,5-30H2,1-4H3,(H,50,69)(H,51,59)(H,52,58)(H,53,68)(H,54,66)(H,55,67)(H,60,61)(H,62,63)(H,64,65)(H,71,72)/t32-,33+,34+,35+,36+,37+,43+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1/Nrf2 (unknown origin) interaction assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain after 1 hr by FITC-...				J Med Chem 59: 10837-10858 (2016) Article DOI: 10.1021/acs.jmedchem.6b00586 BindingDB Entry DOI: 10.7270/Q2377BPQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50006932 (CHEMBL3237245) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50006932 (CHEMBL3237245) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...				J Med Chem 61: 8029-8047 (2018) Article DOI: 10.1021/acs.jmedchem.8b01133 BindingDB Entry DOI: 10.7270/Q2G163CR
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50006932 (CHEMBL3237245) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Keap1/Nrf2 complex (unknown origin)				Bioorg Med Chem Lett 25: 2261-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.019 BindingDB Entry DOI: 10.7270/Q20V8GSC
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50535743 (CHEBI:3197 | CHEMBL459546) Show SMILES [H][C@]12[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@]3([H])[#6][C@@]4([H])[#6](-[#6])=[#6](-[#8])-[#6](=O)-[#6][C@]4([#6])[C@@]4([H])[#6@@H](-[#8])-[#6@H](-[#8])[C@]1([#8]-[#6][C@@]234)[#6](=O)-[#8]-[#6] |r,t:19| Show InChI InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Dongguk University Curated by ChEMBL					Assay Description Inhibition of NRF2 in human MDA-MB-231 cells harboring ARE-GFP-Luc assessed as reduction in ARE-luciferase activity after 16 hrs by firefly luciferas...				Bioorg Med Chem Lett 29: 2189-2196 (2019) Article DOI: 10.1016/j.bmcl.2019.06.049 BindingDB Entry DOI: 10.7270/Q2CJ8J06
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50006932 (CHEMBL3237245) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568477 (CHEMBL4853900) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc3OCCOc3c2)c2ccccc12)S(=O)(=O)c1ccc2OCCOc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109371 (CHEMBL3601215) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccccc2)c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H22N2O8S2/c29-25(30)17-27(37(33,34)19-9-3-1-4-10-19)23-15-16-24(22-14-8-7-13-21(22)23)28(18-26(31)32)38(35,36)20-11-5-2-6-12-20/h1-16H,17-18H2,(H,29,30)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109367 (CHEMBL3601211) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(Br)cc2)c2ccccc12)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C26H20Br2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109396 (CHEMBL3601221) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(CCCC)cc2)c2ccccc12 Show InChI InChI=1S/C34H38N2O8S2/c1-3-5-9-25-13-17-27(18-14-25)45(41,42)35(23-33(37)38)31-21-22-32(30-12-8-7-11-29(30)31)36(24-34(39)40)46(43,44)28-19-15-26(16-20-28)10-6-4-2/h7-8,11-22H,3-6,9-10,23-24H2,1-2H3,(H,37,38)(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109366 (CHEMBL3601210) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H20Cl2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109392 (CHEMBL3601217) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2cccc3ccccc23)c2ccccc12)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C34H26N2O8S2/c37-33(38)21-35(45(41,42)31-17-7-11-23-9-1-3-13-25(23)31)29-19-20-30(28-16-6-5-15-27(28)29)36(22-34(39)40)46(43,44)32-18-8-12-24-10-2-4-14-26(24)32/h1-20H,21-22H2,(H,37,38)(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109369 (CHEMBL3601213) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C(C)(C)C)c2ccccc12 Show InChI InChI=1S/C34H38N2O8S2/c1-33(2,3)23-11-15-25(16-12-23)45(41,42)35(21-31(37)38)29-19-20-30(28-10-8-7-9-27(28)29)36(22-32(39)40)46(43,44)26-17-13-24(14-18-26)34(4,5)6/h7-20H,21-22H2,1-6H3,(H,37,38)(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109365 (CHEMBL3601209) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H20F2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50537622 (CHEMBL4634168) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(F)F)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C27H25F2N3O8S2/c1-39-18-7-11-20(12-8-18)41(35,36)31(16-25(28)29)24-15-30-27(23-6-4-3-5-22(23)24)32(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15,25H,16-17H2,1-2H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				J Med Chem 63: 6547-6560 (2020) Article DOI: 10.1021/acs.jmedchem.9b01074 BindingDB Entry DOI: 10.7270/Q2QV3QDZ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561983 (BDBM50369389 | US11396496, Compound A1) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...				J Med Chem 61: 8029-8047 (2018) Article DOI: 10.1021/acs.jmedchem.8b01133 BindingDB Entry DOI: 10.7270/Q2G163CR
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50130549 (CHEMBL3632711) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(N)=O)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H28N4O8S2/c1-39-19-7-11-21(12-8-19)41(35,36)31(17-27(29)33)25-15-16-26(24-6-4-3-5-23(24)25)32(18-28(30)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H2,29,33)(H2,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...				J Med Chem 61: 8029-8047 (2018) Article DOI: 10.1021/acs.jmedchem.8b01133 BindingDB Entry DOI: 10.7270/Q2G163CR
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561983 (BDBM50369389 | US11396496, Compound A1) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...				J Med Chem 63: 6547-6560 (2020) Article DOI: 10.1021/acs.jmedchem.9b01074 BindingDB Entry DOI: 10.7270/Q2QV3QDZ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109394 (CHEMBL3601219) Show SMILES COc1cccc(c1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2cccc(OC)c2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-5-9-21(15-19)41(35,36)29(17-27(31)32)25-13-14-26(24-12-4-3-11-23(24)25)30(18-28(33)34)42(37,38)22-10-6-8-20(16-22)40-2/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561992 (BDBM50537618 | US11396496, Compound B0) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ncc(N(CC(F)(F)F)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				J Med Chem 63: 6547-6560 (2020) Article DOI: 10.1021/acs.jmedchem.9b01074 BindingDB Entry DOI: 10.7270/Q2QV3QDZ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM415702 (US10442759, Compound I-14) Show SMILES COc1ccc(cc1)C(Oc1ccc(N(CC(O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12)C(O)=O Show InChI InChI=1S/C30H29NO8S/c1-18-15-19(2)29(20(3)16-18)40(36,37)31(17-27(32)33)25-13-14-26(24-8-6-5-7-23(24)25)39-28(30(34)35)21-9-11-22(38-4)12-10-21/h5-16,28H,17H2,1-4H3,(H,32,33)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112734 BindingDB Entry DOI: 10.7270/Q2FJ2MGN
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568475 (CHEMBL4846463) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)N2C(=O)c3ccccc3C2=O)c2ccccc12)S(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568484 (CHEMBL4865999) Show SMILES O=S(=O)(N(Cc1nnn[nH]1)c1ccc(N(Cc2nnn[nH]2)S(=O)(=O)c2ccc3OCCOc3c2)c2ccccc12)c1ccc2OCCOc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568482 (CHEMBL4858288) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1nnn[nH]1)c1ccc(N(Cc2nnn[nH]2)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50369387 (CHEMBL4166445) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ncccc12 Show InChI InChI=1S/C27H25N3O10S2/c1-39-18-5-9-20(10-6-18)41(35,36)29(16-25(31)32)23-13-14-24(27-22(23)4-3-15-28-27)30(17-26(33)34)42(37,38)21-11-7-19(40-2)8-12-21/h3-15H,16-17H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...				J Med Chem 61: 8029-8047 (2018) Article DOI: 10.1021/acs.jmedchem.8b01133 BindingDB Entry DOI: 10.7270/Q2G163CR
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50006932 (CHEMBL3237245) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50200462 (CHEMBL3928693) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C33H51N7O16/c1-15(2)12-21(33(55)56)38-28(50)18(7-9-24(44)45)36-23(43)14-34-31(53)27(16(3)41)39-29(51)19(8-10-25(46)47)37-30(52)22-6-5-11-40(22)32(54)20(13-26(48)49)35-17(4)42/h15-16,18-22,27,41H,5-14H2,1-4H3,(H,34,53)(H,35,42)(H,36,43)(H,37,52)(H,38,50)(H,39,51)(H,44,45)(H,46,47)(H,48,49)(H,55,56)/t16-,18+,19+,20+,21+,22+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Nrf2 (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111862 BindingDB Entry DOI: 10.7270/Q2057KCZ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109395 (CHEMBL3601220) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C#N)c2ccccc12)S(=O)(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C28H20N4O8S2/c29-15-19-5-9-21(10-6-19)41(37,38)31(17-27(33)34)25-13-14-26(24-4-2-1-3-23(24)25)32(18-28(35)36)42(39,40)22-11-7-20(16-30)8-12-22/h1-14H,17-18H2,(H,33,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50537620 (CHEMBL4641049) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ncc(N(CC(F)(F)F)S(=O)(=O)c2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C26H21F4N3O7S2/c1-40-18-8-12-20(13-9-18)41(36,37)32(15-24(34)35)25-22-5-3-2-4-21(22)23(14-31-25)33(16-26(28,29)30)42(38,39)19-10-6-17(27)7-11-19/h2-14H,15-16H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				J Med Chem 63: 6547-6560 (2020) Article DOI: 10.1021/acs.jmedchem.9b01074 BindingDB Entry DOI: 10.7270/Q2QV3QDZ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568477 (CHEMBL4853900) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc3OCCOc3c2)c2ccccc12)S(=O)(=O)c1ccc2OCCOc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109393 (CHEMBL3601218) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c2ccccc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H20F6N2O8S2/c29-27(30,31)17-5-9-19(10-6-17)45(41,42)35(15-25(37)38)23-13-14-24(22-4-2-1-3-21(22)23)36(16-26(39)40)46(43,44)20-11-7-18(8-12-20)28(32,33)34/h1-14H,15-16H2,(H,37,38)(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...				J Med Chem 58: 6410-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00185 BindingDB Entry DOI: 10.7270/Q2CR5W5H
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568474 (CHEMBL4862491) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c2ccccc12)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50537619 (CHEMBL4648321) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C26H21F4N3O7S2/c1-40-18-8-12-20(13-9-18)42(38,39)33(16-26(28,29)30)23-14-31-25(22-5-3-2-4-21(22)23)32(15-24(34)35)41(36,37)19-10-6-17(27)7-11-19/h2-14H,15-16H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				J Med Chem 63: 6547-6560 (2020) Article DOI: 10.1021/acs.jmedchem.9b01074 BindingDB Entry DOI: 10.7270/Q2QV3QDZ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568478 (CHEMBL4860663) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2cc3OCCOc3cc2Cl)c2ccccc12)S(=O)(=O)c1cc2OCCOc2cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568479 (CHEMBL4851973) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc3OCCCc3c2)c2ccccc12)S(=O)(=O)c1ccc2OCCCc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50568480 (CHEMBL4863099) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc3OCOc3c2)c2ccccc12)S(=O)(=O)c1ccc2OCOc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116300 BindingDB Entry DOI: 10.7270/Q2SJ1QDQ
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50205342 (CHEMBL3962296) Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(CCCC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12 Show InChI InChI=1S/C30H32N2O8S2/c1-3-39-22-12-16-24(17-13-22)41(35,36)31-28-20-21(8-7-11-29(33)34)30(27-10-6-5-9-26(27)28)32-42(37,38)25-18-14-23(15-19-25)40-4-2/h5-6,9-10,12-20,31-32H,3-4,7-8,11H2,1-2H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Inhibition of recombinant GST-His-tagged Keap1-DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli/FAM-labeled Nrf2 (unkno...				Bioorg Med Chem Lett 26: 5956-5959 (2016) Article DOI: 10.1016/j.bmcl.2016.10.083 BindingDB Entry DOI: 10.7270/Q2PC34CB
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM415703 (US10442759, Compound I-15) Show SMILES CCOc1ccc(cc1)C(Oc1ccc(N(CC(O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12)C(O)=O Show InChI InChI=1S/C31H31NO8S/c1-5-39-23-12-10-22(11-13-23)29(31(35)36)40-27-15-14-26(24-8-6-7-9-25(24)27)32(18-28(33)34)41(37,38)30-20(3)16-19(2)17-21(30)4/h6-17,29H,5,18H2,1-4H3,(H,33,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112734 BindingDB Entry DOI: 10.7270/Q2FJ2MGN
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50556023 (CHEMBL4796980) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(O)=O)c1ccc(OC(C(O)=O)c2ccc(O)cc2)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112734 BindingDB Entry DOI: 10.7270/Q2FJ2MGN
					More data for this Ligand-Target Pair

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