BDBM50656080 CHEMBL6149614

SMILES CCN1C=C(c2c(n(nc2C1=O)C)CN3CCC4(CCC4)CC3)C5CC5

InChI Key InChIKey=ASAIHTZSRMFCDC-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50656080   

TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum (isolate 3D7))
Schrodinger Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50656080BDBM50656080(CHEMBL6149614)
Affinity DataIC50: 8nMAssay Description:Inhibition of N-terminal His6-tagged recombinant Plasmodium falciparum DHODH (158 to 569 residues) N-terminally truncated soluble domain extracted fr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Human)
Schrodinger Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50656080BDBM50656080(CHEMBL6149614)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of C-terminal His6-tagged recombinant human DHODH (29 to 395 residues) N-terminally truncated soluble domain extracted from Escherichia co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed