BDBM46591 2-chloranyl-4-[5-[(Z)-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-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid::4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethenyl]-2-furanyl]-2-chlorobenzoic acid::4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]vinyl]-2-furyl]-2-chloro-benzoic acid::4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-vinyl]-furan-2-yl}-2-chloro-benzoic acid::MLS000778504::SMR000415298::cid_1625680

SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1

InChI Key InChIKey=FSTMVTJCUXGKFP-UHFFFAOYSA-N

Data  11 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 46591   

TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataEC50:  1.38E+3nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 2.35E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataEC50:  1.76E+3nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 1.13E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetProthrombin(Bovine)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 9.79E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
Target26S proteasome non-ATPase regulatory subunit 14(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 9.04E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetAlbumin(Bovine)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 9.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetT cell receptor alpha variable 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 9.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 1.49E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2014
Entry Details
PCBioAssay
TargetPC4 and SFRS1-interacting protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 6.90E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2014
Entry Details
PCBioAssay
TargetRNA-editing ligase 1, mitochondrial(Trypanosoma brucei brucei)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46591(4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-...)
Affinity DataIC50: 2.29E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2015
Entry Details
PCBioAssay