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BDBM51781 (5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione::(5E)-1-(4-fluorophenyl)-5-(2-furfurylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone::(5E)-1-(4-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione::1-(4-Fluoro-phenyl)-5-furan-2-ylmethylene-2-thioxo-dihydro-pyrimidine-4,6-dione::MLS001211808::SMR000516340::cid_777365

SMILES: Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O

InChI Key: InChIKey=IAYFTVLDDWMEDT-UHFFFAOYSA-N

Data: 9 IC50  2 EC50

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 11 hits for monomerid = 51781   
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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29G5K79
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/an/an/a 1.04E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/an/an/a 1.11E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 4.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2445JXV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
PDB

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n/an/a 8.22E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a>6.70E+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 (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KD1WBN
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM51781
PNG
((5E)-1-(4-fluorophenyl)-5-(2-furanylmethylidene)-2...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C15H9FN2O3S/c16-9-3-5-10(6-4-9)18-14(20)12(13(19)17-15(18)22)8-11-2-1-7-21-11/h1-8H,(H,17,19,22)
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n/an/a 3.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair