Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'moore' and Initial = 'tw'   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					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))	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))	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
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
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))	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)
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
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
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
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 (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
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50537623 (CHEMBL4640762) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCF)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12 Show InChI InChI=1S/C27H26FN3O8S2/c1-38-19-7-11-21(12-8-19)40(34,35)30(16-15-28)25-17-29-27(24-6-4-3-5-23(24)25)31(18-26(32)33)41(36,37)22-13-9-20(39-2)10-14-22/h3-14,17H,15-16,18H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	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))	BDBM50537613 (CHEMBL4637137) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ncc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C26H22FN3O9S2/c1-39-18-8-12-20(13-9-18)41(37,38)30(16-25(33)34)26-22-5-3-2-4-21(22)23(14-28-26)29(15-24(31)32)40(35,36)19-10-6-17(27)7-11-19/h2-14H,15-16H2,1H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	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
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
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50537612 (CHEMBL4640093) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C26H22FN3O9S2/c1-39-18-8-12-20(13-9-18)40(35,36)29(15-24(31)32)23-14-28-26(22-5-3-2-4-21(22)23)30(16-25(33)34)41(37,38)19-10-6-17(27)7-11-19/h2-14H,15-16H2,1H3,(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	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
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
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50537621 (CHEMBL4645359) Show SMILES OC(=O)CN(c1ncc(N(CC(F)(F)F)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C25H18F5N3O6S2/c26-16-5-9-18(10-6-16)40(36,37)32(14-23(34)35)24-21-4-2-1-3-20(21)22(13-31-24)33(15-25(28,29)30)41(38,39)19-11-7-17(27)8-12-19/h1-13H,14-15H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	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
Serine/threonine-protein kinase Nek1 (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					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
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50431030 (CHEMBL379849) Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50431030 (CHEMBL379849) Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50431030 (CHEMBL379849) Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	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))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					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
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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50431028 (CHEMBL2338333) Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1 Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50431029 (CHEMBL574646) Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1 Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay				J Med Chem 56: 3456-66 (2013) Article DOI: 10.1021/jm4002692 BindingDB Entry DOI: 10.7270/Q2SB473Z
					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)

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