Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50200471'   

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))	BDBM50200471 (CHEMBL3970907) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C34H47N7O16/c1-16(36-32(54)22(14-27(49)50)37-18(3)43)29(51)39-21(10-12-26(47)48)31(53)41-28(17(2)42)33(55)35-15-24(44)38-20(9-11-25(45)46)30(52)40-23(34(56)57)13-19-7-5-4-6-8-19/h4-8,16-17,20-23,28,42H,9-15H2,1-3H3,(H,35,55)(H,36,54)(H,37,43)(H,38,44)(H,39,51)(H,40,52)(H,41,53)(H,45,46)(H,47,48)(H,49,50)(H,56,57)/t16-,17+,20-,21-,22-,23-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli interaction with Nrf2 a...				J Med Chem 59: 10837-10858 (2016) Article DOI: 10.1021/acs.jmedchem.6b00586 BindingDB Entry DOI: 10.7270/Q2377BPQ
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