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BDBM55182 5-[[5-(4-fluoranyl-2-oxidanyl-phenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione::5-[[5-(4-fluoro-2-hydroxy-phenyl)-2-furyl]methylene]barbituric acid::5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione::5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione::MLS000911621::SMR000718292::cid_24856274

SMILES: [#8]-c1cc(F)ccc1-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)o1

InChI Key: InChIKey=DHYWKROGVBRSQF-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 55182   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
M18 aspartyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM55182
PNG
(5-[[5-(4-fluoranyl-2-oxidanyl-phenyl)furan-2-yl]me...)
Show SMILES Oc1cc(F)ccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1
Show InChI InChI=1S/C15H9FN2O5/c16-7-1-3-9(11(19)5-7)12-4-2-8(23-12)6-10-13(20)17-15(22)18-14(10)21/h1-6,19H,(H2,17,18,20,21,22)
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 4.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


Article DOI: 10.1002/cbic.201300347
BindingDB Entry DOI: 10.7270/Q24B2ZQ2
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM55182
PNG
(5-[[5-(4-fluoranyl-2-oxidanyl-phenyl)furan-2-yl]me...)
Show SMILES Oc1cc(F)ccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1
Show InChI InChI=1S/C15H9FN2O5/c16-7-1-3-9(11(19)5-7)12-4-2-8(23-12)6-10-13(20)17-15(22)18-14(10)21/h1-6,19H,(H2,17,18,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM55182
PNG
(5-[[5-(4-fluoranyl-2-oxidanyl-phenyl)furan-2-yl]me...)
Show SMILES Oc1cc(F)ccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1
Show InChI InChI=1S/C15H9FN2O5/c16-7-1-3-9(11(19)5-7)12-4-2-8(23-12)6-10-13(20)17-15(22)18-14(10)21/h1-6,19H,(H2,17,18,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20K2704
More data for this
Ligand-Target Pair