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BDBM42791 2-[(4-fluorobenzyl)thio]-4-(2-furyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile::2-[(4-fluorobenzyl)thio]-6-(2-furyl)-4-keto-1H-pyrimidine-5-carbonitrile::2-[(4-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile::2-[(4-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)-4-oxo-1H-pyrimidine-5-carbonitrile::2-[(4-fluorophenyl)methylthio]-6-(2-furanyl)-4-oxo-1H-pyrimidine-5-carbonitrile::MLS000065058::SMR000078436::cid_974019

SMILES: Fc1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1

InChI Key: InChIKey=DXRLBFPEYLCEPQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 42791   
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
Major prion protein


(Homo sapiens (Human))
BDBM42791
PNG
(2-[(4-fluorobenzyl)thio]-4-(2-furyl)-6-oxo-1,6-dih...)
Show SMILES Fc1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H10FN3O2S/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.03E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42791
PNG
(2-[(4-fluorobenzyl)thio]-4-(2-furyl)-6-oxo-1,6-dih...)
Show SMILES Fc1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H10FN3O2S/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair