Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'mangipudy' and Initial = 'v'   

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
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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM50568481 (CHEMBL4867904) Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc3OCCc3c2)c2ccccc12)S(=O)(=O)c1ccc2OCCc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	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))	BDBM50568476 (CHEMBL4857990) Show SMILES COc1ccc(c(Br)c1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2Br)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	184	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))	BDBM50568473 (CHEMBL4872820) Show SMILES CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	194	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))	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	235	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))	BDBM50568483 (CHEMBL4876513) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N(Cc1nnn[nH]1)c1ccc(N(Cc2nnn[nH]2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	302	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	384	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