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BDBM52864 4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid::4-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]benzoic acid::4-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethenyl]-2-furanyl]benzoic acid::4-[5-[(E)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]vinyl]-2-furyl]benzoic acid::4-{5-[(E)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-vinyl]-furan-2-yl}-benzoic acid::MLS000778527::SMR000415321::cid_1628000

SMILES: Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1

InChI Key: InChIKey=NFPAYMHTJZCVDP-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 52864   
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
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52864
PNG
(4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfa...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
Show InChI InChI=1S/C17H13N3O5S/c1-9-18-17(20-19-9)26-14(16(23)24)8-12-6-7-13(25-12)10-2-4-11(5-3-10)15(21)22/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)
KEGG

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.45E+3n/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
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52864
PNG
(4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfa...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
Show InChI InChI=1S/C17H13N3O5S/c1-9-18-17(20-19-9)26-14(16(23)24)8-12-6-7-13(25-12)10-2-4-11(5-3-10)15(21)22/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

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n/an/an/an/a 4.10E+3n/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
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM52864
PNG
(4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfa...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
Show InChI InChI=1S/C17H13N3O5S/c1-9-18-17(20-19-9)26-14(16(23)24)8-12-6-7-13(25-12)10-2-4-11(5-3-10)15(21)22/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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n/an/a 7.79E+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
serum albumin precursor


(Bos taurus)
BDBM52864
PNG
(4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfa...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
Show InChI InChI=1S/C17H13N3O5S/c1-9-18-17(20-19-9)26-14(16(23)24)8-12-6-7-13(25-12)10-2-4-11(5-3-10)15(21)22/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)
PDB

Reactome pathway
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UniProtKB/SwissProt

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n/an/a>9.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM52864
PNG
(4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfa...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
Show InChI InChI=1S/C17H13N3O5S/c1-9-18-17(20-19-9)26-14(16(23)24)8-12-6-7-13(25-12)10-2-4-11(5-3-10)15(21)22/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>9.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM52864
PNG
(4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfa...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
Show InChI InChI=1S/C17H13N3O5S/c1-9-18-17(20-19-9)26-14(16(23)24)8-12-6-7-13(25-12)10-2-4-11(5-3-10)15(21)22/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.85E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair