Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50532965'   

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
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50532965 (CHEMBL4476281) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(=O)CCCC(=O)NCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)cc2)c2ccccc12 Show InChI InChI=1S/C55H48N6O16S3/c1-75-36-14-18-38(19-15-36)80(73,74)61(31-52(68)69)46-24-23-45(39-5-2-3-6-40(39)46)60(30-51(66)67)79(71,72)37-16-9-32(10-17-37)58-50(65)8-4-7-49(64)56-25-26-57-54(78)59-33-11-20-42-41(27-33)53(70)77-55(42)43-21-12-34(62)28-47(43)76-48-29-35(63)13-22-44(48)55/h2-3,5-6,9-24,27-29,62-63H,4,7-8,25-26,30-31H2,1H3,(H,56,64)(H,58,65)(H,66,67)(H,68,69)(H2,57,59,78)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE3) cells at 0.05 mM by isothermal titration...				J Med Chem 59: 7305-10 (2016) Article DOI: 10.1021/acs.jmedchem.6b00775 BindingDB Entry DOI: 10.7270/Q2BK1GWD
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50532965 (CHEMBL4476281) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(=O)CCCC(=O)NCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)cc2)c2ccccc12 Show InChI InChI=1S/C55H48N6O16S3/c1-75-36-14-18-38(19-15-36)80(73,74)61(31-52(68)69)46-24-23-45(39-5-2-3-6-40(39)46)60(30-51(66)67)79(71,72)37-16-9-32(10-17-37)58-50(65)8-4-7-49(64)56-25-26-57-54(78)59-33-11-20-42-41(27-33)53(70)77-55(42)43-21-12-34(62)28-47(43)76-48-29-35(63)13-22-44(48)55/h2-3,5-6,9-24,27-29,62-63H,4,7-8,25-26,30-31H2,1H3,(H,56,64)(H,58,65)(H,66,67)(H,68,69)(H2,57,59,78)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled 9-mer Nrf2 peptide amide binding to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE...				J Med Chem 59: 7305-10 (2016) Article DOI: 10.1021/acs.jmedchem.6b00775 BindingDB Entry DOI: 10.7270/Q2BK1GWD
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50532965 (CHEMBL4476281) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(=O)CCCC(=O)NCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)cc2)c2ccccc12 Show InChI InChI=1S/C55H48N6O16S3/c1-75-36-14-18-38(19-15-36)80(73,74)61(31-52(68)69)46-24-23-45(39-5-2-3-6-40(39)46)60(30-51(66)67)79(71,72)37-16-9-32(10-17-37)58-50(65)8-4-7-49(64)56-25-26-57-54(78)59-33-11-20-42-41(27-33)53(70)77-55(42)43-21-12-34(62)28-47(43)76-48-29-35(63)13-22-44(48)55/h2-3,5-6,9-24,27-29,62-63H,4,7-8,25-26,30-31H2,1H3,(H,56,64)(H,58,65)(H,66,67)(H,68,69)(H2,57,59,78)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled 9-mer Nrf2 peptide amide binding to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE...				J Med Chem 59: 7305-10 (2016) Article DOI: 10.1021/acs.jmedchem.6b00775 BindingDB Entry DOI: 10.7270/Q2BK1GWD
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50532965 (CHEMBL4476281) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(=O)CCCC(=O)NCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)cc2)c2ccccc12 Show InChI InChI=1S/C55H48N6O16S3/c1-75-36-14-18-38(19-15-36)80(73,74)61(31-52(68)69)46-24-23-45(39-5-2-3-6-40(39)46)60(30-51(66)67)79(71,72)37-16-9-32(10-17-37)58-50(65)8-4-7-49(64)56-25-26-57-54(78)59-33-11-20-42-41(27-33)53(70)77-55(42)43-21-12-34(62)28-47(43)76-48-29-35(63)13-22-44(48)55/h2-3,5-6,9-24,27-29,62-63H,4,7-8,25-26,30-31H2,1H3,(H,56,64)(H,58,65)(H,66,67)(H,68,69)(H2,57,59,78)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE3) cells at 0.05 mM by isothermal titration...				J Med Chem 59: 7305-10 (2016) Article DOI: 10.1021/acs.jmedchem.6b00775 BindingDB Entry DOI: 10.7270/Q2BK1GWD
					More data for this Ligand-Target Pair