Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'jain' and Initial = 'ad'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Solute carrier family 2, facilitated glucose transporter member 4 (Rattus norvegicus)	BDBM50277375 (CHEMBL4173323) Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H37N5O6/c1-2-44-33(42)30(19-25-14-8-4-9-15-25)38-31(40)28(18-24-12-6-3-7-13-24)37-32(41)29(20-27-21-35-23-36-27)39-34(43)45-22-26-16-10-5-11-17-26/h3-17,21,23,28-30H,2,18-20,22H2,1H3,(H,35,36)(H,37,41)(H,38,40)(H,39,43)/t28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at GLUT4 in rat adipocytes assessed as reduction in insulin-stimulated [3H]2-deoxyglucose uptake preincubated for 1 min followed ...				Eur J Med Chem 139: 573-586 (2017) Article DOI: 10.1016/j.ejmech.2017.08.029 BindingDB Entry DOI: 10.7270/Q2NC63Q7
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa...				Eur J Med Chem 103: 252-68 (2015) Article DOI: 10.1016/j.ejmech.2015.08.049 BindingDB Entry DOI: 10.7270/Q25B04BR
					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
Kelch-like ECH-associated protein 1 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa...				Eur J Med Chem 103: 252-68 (2015) Article DOI: 10.1016/j.ejmech.2015.08.049 BindingDB Entry DOI: 10.7270/Q25B04BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Kelch-like ECH-associated protein 1/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 MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50519234 (CHEMBL4440989) Show SMILES CCCCC1CCCN1C(=O)[C@@H]1CCC[C@@H](C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1 |r| Show InChI InChI=1S/C28H37N3O3/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/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					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
Kelch-like ECH-associated protein 1/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 MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					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
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50120422 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa...				Eur J Med Chem 103: 252-68 (2015) Article DOI: 10.1016/j.ejmech.2015.08.049 BindingDB Entry DOI: 10.7270/Q25B04BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50538489 (CHEMBL4632368) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(N(C(C)C(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C27H26N2O8S2/c1-18(27(30)31)29(39(34,35)22-14-10-20(37-3)11-15-22)26-17-16-25(23-6-4-5-7-24(23)26)28-38(32,33)21-12-8-19(36-2)9-13-21/h4-18,28H,1-3H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50190617 (CHEMBL3827626) Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc(N2CC[C@H](C2)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50538490 (CHEMBL4632722) Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(N([C@H](C)C(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 |r| Show InChI InChI=1S/C28H27NO8S2/c1-19(28(30)31)29(39(34,35)24-15-11-22(37-3)12-16-24)27-17-8-20(25-6-4-5-7-26(25)27)18-38(32,33)23-13-9-21(36-2)10-14-23/h4-17,19H,18H2,1-3H3,(H,30,31)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561995 (BDBM50538487 | US11396496, Compound C3) Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(N(C(C)C(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM561995 (BDBM50538487 | US11396496, Compound C3) Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(N(C(C)C(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561988 (BDBM50537615 | US11396496, Compound A6) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50538491 (CHEMBL4647946) Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(N([C@@H](C)C(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 |r| Show InChI InChI=1S/C28H27NO8S2/c1-19(28(30)31)29(39(34,35)24-15-11-22(37-3)12-16-24)27-17-8-20(25-6-4-5-7-26(25)27)18-38(32,33)23-13-9-21(36-2)10-14-23/h4-17,19H,18H2,1-3H3,(H,30,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561987 (BDBM50537610 | US11396496, Compound A5) Show SMILES OC(=O)CN(c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50130557 (CHEMBL3632882) Show SMILES CCOC(=O)CN(c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H28N2O8S2/c1-4-38-28(31)19-30(40(34,35)23-15-11-21(37-3)12-16-23)27-18-17-26(24-7-5-6-8-25(24)27)29-39(32,33)22-13-9-20(36-2)10-14-22/h5-18,29H,4,19H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa...				Eur J Med Chem 103: 252-68 (2015) Article DOI: 10.1016/j.ejmech.2015.08.049 BindingDB Entry DOI: 10.7270/Q25B04BR
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561986 (BDBM50537611 | US11396496, Compound A4) Show SMILES OC(=O)CN(c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(O)cc2)c2ccccc12)S(=O)(=O)c1ccc(O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM561994 (BDBM50538480 | US11396496, Compound C2) Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	678	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561994 (BDBM50538480 | US11396496, Compound C2) Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	698	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50498216 (CHEMBL3422852) Show SMILES Cc1cccc2[C@@H](CN3Cc4ccccc4C3=O)N(CCc12)C(=O)[C@H]1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C27H30N2O4/c1-17-7-6-12-21-19(17)13-14-29(26(31)22-10-4-5-11-23(22)27(32)33)24(21)16-28-15-18-8-2-3-9-20(18)25(28)30/h2-3,6-9,12,22-24H,4-5,10-11,13-16H2,1H3,(H,32,33)/t22-,23+,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	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
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561996 (US11396496, Compound C4) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(N2C[C@@H](C[C@H]2C(O)=O)c2ccccc2)c2ccccc12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	938	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50006931 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	940	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))	BDBM50109399 (CHEMBL3600957) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C24H24N2O10S2/c1-35-19-7-11-21(12-8-19)37(31,32)25(15-23(27)28)17-3-5-18(6-4-17)26(16-24(29)30)38(33,34)22-13-9-20(36-2)10-14-22/h3-14H,15-16H2,1-2H3,(H,27,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	980	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))	BDBM50369358 (CHEMBL4173296) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1nnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C26H24N4O10S2/c1-39-17-7-11-19(12-8-17)41(35,36)29(15-23(31)32)25-21-5-3-4-6-22(21)26(28-27-25)30(16-24(33)34)42(37,38)20-13-9-18(40-2)10-14-20/h3-14H,15-16H2,1-2H3,(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	1.10E+3	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
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561990 (BDBM50537617 | BDBM561991 | US11396496, Compound A...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561984 (BDBM50537614 | US11396496, Compound A2) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ncc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561990 (BDBM50537617 | BDBM561991 | US11396496, Compound A...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50369439 (CHEMBL4169869) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2[nH]ccc12 Show InChI InChI=1S/C26H25N3O10S2/c1-38-17-3-7-19(8-4-17)40(34,35)28(15-24(30)31)22-11-12-23(26-21(22)13-14-27-26)29(16-25(32)33)41(36,37)20-9-5-18(39-2)6-10-20/h3-14,27H,15-16H2,1-2H3,(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	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
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM562006 (BDBM50538481 | US11396496, Compound C14) Show SMILES COc1ccc(CCc2ccc(N(CC(O)=O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 4 (Rattus norvegicus)	BDBM50277370 (CHEMBL4171968) Show SMILES COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C29H27FN2O3/c1-34-27-11-7-25(8-12-27)29(33)32(20-23-13-16-31-17-14-23)21-24-3-2-4-28(19-24)35-18-15-22-5-9-26(30)10-6-22/h2-14,16-17,19H,15,18,20-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at rat C-terminal 6His/Myc-tagged GLUT4 assessed as reduction in 2-[3H]deoxyglucose uptake measured after 6 mins				Eur J Med Chem 139: 573-586 (2017) Article DOI: 10.1016/j.ejmech.2017.08.029 BindingDB Entry DOI: 10.7270/Q2NC63Q7
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50006931 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa...				Eur J Med Chem 103: 252-68 (2015) Article DOI: 10.1016/j.ejmech.2015.08.049 BindingDB Entry DOI: 10.7270/Q25B04BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier family 2, facilitated glucose transporter member 4 (Homo sapiens)	BDBM50277370 (CHEMBL4171968) Show SMILES COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C29H27FN2O3/c1-34-27-11-7-25(8-12-27)29(33)32(20-23-13-16-31-17-14-23)21-24-3-2-4-28(19-24)35-18-15-22-5-9-26(30)10-6-22/h2-14,16-17,19H,15,18,20-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at human GLUT4 expressed in HEK293 cells transfected with GLUT1 shRNA assessed as inhibition of [3H]2-deoxy-D-glucose uptake prei...				Eur J Med Chem 139: 573-586 (2017) Article DOI: 10.1016/j.ejmech.2017.08.029 BindingDB Entry DOI: 10.7270/Q2NC63Q7
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561985 (US11396496, Compound A3) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1ncc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561989 (BDBM50537616 | US11396496, Compound A7) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cnc(N(C(C)C(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50130541 (CHEMBL3632699) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(OC)c2)c2ccccc12 Show InChI InChI=1S/C24H22N2O6S2/c1-31-17-7-5-9-19(15-17)33(27,28)25-23-13-14-24(22-12-4-3-11-21(22)23)26-34(29,30)20-10-6-8-18(16-20)32-2/h3-16,25-26H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa...				Eur J Med Chem 103: 252-68 (2015) Article DOI: 10.1016/j.ejmech.2015.08.049 BindingDB Entry DOI: 10.7270/Q25B04BR
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50498213 (CHEMBL3185746) Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/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+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	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
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50538479 (CHEMBL4634320 | US11396496, Compound C1) Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C25H23NO6S2/c1-31-19-8-12-21(13-9-19)33(27,28)17-18-7-16-25(24-6-4-3-5-23(18)24)26-34(29,30)22-14-10-20(32-2)11-15-22/h3-16,26H,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50538479 (CHEMBL4634320 | US11396496, Compound C1) Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C25H23NO6S2/c1-31-19-8-12-21(13-9-19)33(27,28)17-18-7-16-25(24-6-4-3-5-23(18)24)26-34(29,30)22-14-10-20(32-2)11-15-22/h3-16,26H,17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...				ACS Med Chem Lett 11: 521-527 (2020) Article DOI: 10.1021/acsmedchemlett.9b00631 BindingDB Entry DOI: 10.7270/Q2Q243SW
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM50277371 (CHEMBL4175080) Show SMILES COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCC2CCN(CC2)C(=O)OC(C)(C)C)c1 Show InChI InChI=1S/C32H39N3O5/c1-32(2,3)40-31(37)34-18-14-25(15-19-34)23-39-29-7-5-6-26(20-29)22-35(21-24-12-16-33-17-13-24)30(36)27-8-10-28(38-4)11-9-27/h5-13,16-17,20,25H,14-15,18-19,21-23H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of human GLUT1 in human KMS11 cells over-expressing human GLUT1 assessed as as inhibition of receptor-mediated cell proliferation after 72...				Eur J Med Chem 139: 573-586 (2017) Article DOI: 10.1016/j.ejmech.2017.08.029 BindingDB Entry DOI: 10.7270/Q2NC63Q7
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM561998 (US11396496, Compound C6) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cnc(N2CCC[C@H]2C(O)=O)c2ccccc12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM562004 (BDBM50538484 | US11396496, Compound C12) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(CCC(O)=O)c2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 8 (Homo sapiens)	BDBM50277370 (CHEMBL4171968) Show SMILES COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C29H27FN2O3/c1-34-27-11-7-25(8-12-27)29(33)32(20-23-13-16-31-17-14-23)21-24-3-2-4-28(19-24)35-18-15-22-5-9-26(30)10-6-22/h2-14,16-17,19H,15,18,20-21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at GLUT8 (unknown origin) assessed as reduction in 2-[3H]deoxyglucose uptake measured after 6 mins				Eur J Med Chem 139: 573-586 (2017) Article DOI: 10.1016/j.ejmech.2017.08.029 BindingDB Entry DOI: 10.7270/Q2NC63Q7
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50538485 (CHEMBL4647075 | US11396496, Compound C11) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(CCC(O)=O)c2ccccc12 Show InChI InChI=1S/C20H19NO5S/c1-26-15-8-10-16(11-9-15)27(24,25)21-19-12-6-14(7-13-20(22)23)17-4-2-3-5-18(17)19/h2-6,8-12,21H,7,13H2,1H3,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q23J3H63
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 8 (Homo sapiens)	BDBM50277370 (CHEMBL4171968) Show SMILES COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C29H27FN2O3/c1-34-27-11-7-25(8-12-27)29(33)32(20-23-13-16-31-17-14-23)21-24-3-2-4-28(19-24)35-18-15-22-5-9-26(30)10-6-22/h2-14,16-17,19H,15,18,20-21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at human GLUT8 expressed in HEK293 cells transfected with GLUT1 shRNA assessed as inhibition of [3H]2-deoxy-D-glucose uptake prei...				Eur J Med Chem 139: 573-586 (2017) Article DOI: 10.1016/j.ejmech.2017.08.029 BindingDB Entry DOI: 10.7270/Q2NC63Q7
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM50277374 (CHEMBL4171639) Show SMILES COc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(Br)cc2)c1 Show InChI InChI=1S/C29H27BrN2O3/c1-34-27-11-7-25(8-12-27)29(33)32(20-23-13-16-31-17-14-23)21-24-3-2-4-28(19-24)35-18-15-22-5-9-26(30)10-6-22/h2-14,16-17,19H,15,18,20-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of human GLUT1 in human KMS11 cells over-expressing human GLUT1 assessed as as inhibition of receptor-mediated cell proliferation after 72...				Eur J Med Chem 139: 573-586 (2017) Article DOI: 10.1016/j.ejmech.2017.08.029 BindingDB Entry DOI: 10.7270/Q2NC63Q7
					More data for this Ligand-Target Pair

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