BDBM809653 [(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::US12643912, Example 28b

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

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 809653   

TargetKelch-like ECH-associated protein 1 [321-624](Human)
Les Laboratoires Servier

US Patent
LigandChemical structure of BindingDB Monomer ID 809653BDBM809653([(2R,8R)-4-Methoxy-2,31-dimethyl-27,27-dioxo-21,26...)
Affinity DataKd:  3.25nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
TBA
Entry Details US Patent