BDBM66827 (3aR,4R,9aR,9bS)-4-cyclopropyl-2,9a-dimethyl-8-(4-phenylbenzyl)-3a,4,7,9b-tetrahydropyrrolo[1,2]pyrrolo[4,5-a]pyrazine-1,3,6,9-diquinone::(3aR,4R,9aR,9bS)-4-cyclopropyl-2,9a-dimethyl-8-[(4-phenylphenyl)methyl]-3a,4,7,9b-tetrahydropyrrolo[1,2]pyrrolo[4,5-a]pyrazine-1,3,6,9-tetrone::MLS000862884::SMR000673689::cid_23731305

SMILES CC(=O)O[C@H]1CCN(c2ccc(-n3c(-c4ccc(C#N)c(F)c4)nc4c(N5CCC[C@@H](N)C5)ccnc43)c(F)c2)C1

InChI Key InChIKey=OFOGWBRFKJXWNF-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 = 66827   

TargetLysine-specific histone demethylase 1A(Human)
Hanmi Pharm. Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 66827BDBM66827((S)-1-(4-(7-((R)-3-aminopiperidine-1-yl)-2-(4- cya...)
Affinity DataIC50: 38nMAssay 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