Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kelch-like ECH-associated protein 1' and Ligand = 'BDBM50539551'   

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))	BDBM50539551 (CHEMBL4633657) Show SMILES CC[C@@H]([C@@H](c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C)c1ccc2n(CC)nnc2c1C)C(O)=O |r| Show InChI InChI=1S/C34H40N4O3/c1-8-27(34(40)41)31(28-12-13-29-32(23(28)7)35-36-38(29)9-2)25-11-10-24-14-15-37(18-26(24)17-25)33(39)30-21(5)19(3)16-20(4)22(30)6/h10-13,16-17,27,31H,8-9,14-15,18H2,1-7H3,(H,40,41)/t27-,31+/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	0.880	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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