BDBM809653 US12643912, Example 28b::[(2R,8R)-4-Methoxy-2,31-dimethyl-27,27-dioxo-21,26-dioxa-27λ6-thia-1,14,15,16-tetraazahexacyclo[20.5.3.13,70.19,130.012,160.025,29]dotriaconta-3(32),4,6,9(31),10,12,14,22,24,29-decaen-8-yl]acetic acid and [(2R,8S)-4-methoxy-2,31-dimethyl-27,27-dioxo-21,26-dioxa-27λ6-thia-1,14,15,16-tetraazahexacyclo[20.5.3.13,70.19,130.012,160.025,29]dotriaconta-3(32),4,6,9(31),10,12,14,22,24,29-decaen-8-yl]acetic acid

SMILES COc1ccc2cc1[C@@H](C)N1Cc3cc(ccc3OS1(=O)=O)OCCCCn1nnc3c(C)c(ccc31)[C@H]2CC(=O)O

InChI Key InChIKey=XYBOPORIGZFPHF-UHFFFAOYSA-N

Data  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 809653   

TargetKelch-like ECH-associated protein 1 [321-624](Human)
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US Patent
LigandChemical structure of BindingDB Monomer ID 809653BDBM809653([(2R,8R)-4-Methoxy-2,31-dimethyl-27,27-dioxo-21,26...)
Affinity DataKd:  3.25nMAssay Description:Binding assay to Kelch domain of KEAP1 was performed by Surface Plasmon Resonance (SPR) on a Biacore T200 (GE Healthcare) at 25° C. using CM5 chip. H...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/19/2026
Entry Details
US Patent