Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50539552'   

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))	BDBM50539552 (CHEMBL4634531) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H]([C@@H](C)C(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r| Show InChI InChI=1S/C33H38N4O3/c1-8-37-28-12-11-27(22(6)31(28)34-35-37)30(23(7)33(39)40)25-10-9-24-13-14-36(17-26(24)16-25)32(38)29-20(4)18(2)15-19(3)21(29)5/h9-12,15-16,23,30H,8,13-14,17H2,1-7H3,(H,39,40)/t23-,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to Keap1 (unknown origin) by SPR assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126852 BindingDB Entry DOI: 10.7270/Q21Z47ZJ
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