BDBM66771 (2S)-2-[[2-[(2-keto-4,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]-4-methyl-valeric acid::(2S)-4-methyl-2-[2-[(4,8,8-trimethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]ethanoylamino]pentanoic acid::(2S)-4-methyl-2-[[1-oxo-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h][1]benzopyran-5-yl)oxy]ethyl]amino]pentanoic acid::(2S)-4-methyl-2-[[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]pentanoic acid::MLS001216486::SMR000544226::cid_16406316

SMILES CC(C)C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)cc(C)c12)C(O)=O

InChI Key InChIKey=OBRRFUYXQUWZSY-UHFFFAOYSA-N

Data  1 EC50

  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 = 66771   

TargetBcl-2-related protein A1(Human)
Children''s Hospital Medical Center

US Patent
LigandChemical structure of BindingDB Monomer ID 66771BDBM66771(US12478607, Compound 1.005)
Affinity DataIC50: 3.33E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2026
Entry Details US Patent