Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50200463'   

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))	BDBM50200463 (CHEMBL3967367) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C42H60N8O19/c1-20(2)16-29(42(68)69)49-39(65)27(17-23-8-6-5-7-9-23)48-36(62)24(10-13-31(54)55)45-30(53)19-43-41(67)35(21(3)51)50-38(64)26(12-15-33(58)59)46-37(63)25(11-14-32(56)57)47-40(66)28(18-34(60)61)44-22(4)52/h5-9,20-21,24-29,35,51H,10-19H2,1-4H3,(H,43,67)(H,44,52)(H,45,53)(H,46,63)(H,47,66)(H,48,62)(H,49,65)(H,50,64)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,68,69)/t21-,24+,25+,26+,27+,28+,29+,35+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.39E+3	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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