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BDBM51782 (5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione::(5E)-5-(2-furfurylidene)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone::(5E)-5-(furan-2-ylmethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione::MLS001163797::SMR000539168::cid_1557339

SMILES: Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O

InChI Key: InChIKey=BVLXBSJBJYWXAG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 51782   
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))
BDBM51782
PNG
((5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C16H12N2O3S/c1-10-5-2-3-7-13(10)18-15(20)12(14(19)17-16(18)22)9-11-6-4-8-21-11/h2-9H,1H3,(H,17,19,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PCBioAssay
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
core protein


(Hepatitis C virus)
BDBM51782
PNG
((5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C16H12N2O3S/c1-10-5-2-3-7-13(10)18-15(20)12(14(19)17-16(18)22)9-11-6-4-8-21-11/h2-9H,1H3,(H,17,19,22)
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.78E+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)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51782
PNG
((5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C16H12N2O3S/c1-10-5-2-3-7-13(10)18-15(20)12(14(19)17-16(18)22)9-11-6-4-8-21-11/h2-9H,1H3,(H,17,19,22)
PDB
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PCBioAssay
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
unnamed protein product


(Aspergillus oryzae)
BDBM51782
PNG
((5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C16H12N2O3S/c1-10-5-2-3-7-13(10)18-15(20)12(14(19)17-16(18)22)9-11-6-4-8-21-11/h2-9H,1H3,(H,17,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/a>5.57E+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 (2009)


BindingDB Entry DOI: 10.7270/Q22F7KVM
More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM51782
PNG
((5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
Show InChI InChI=1S/C16H12N2O3S/c1-10-5-2-3-7-13(10)18-15(20)12(14(19)17-16(18)22)9-11-6-4-8-21-11/h2-9H,1H3,(H,17,19,22)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.44E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2668BKB
More data for this
Ligand-Target Pair