Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50539557'   

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))	BDBM50539557 (CHEMBL4637979) Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1ccccc1C |r| Show InChI InChI=1S/C29H30N4O3/c1-4-33-26-12-11-24(19(3)28(26)30-31-33)25(16-27(34)35)21-10-9-20-13-14-32(17-22(20)15-21)29(36)23-8-6-5-7-18(23)2/h5-12,15,25H,4,13-14,16-17H2,1-3H3,(H,34,35)/t25-/m0/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	60	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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