BDBM33642 MLS000527911::SMR000120485::[3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazol-1-yl]-furan-2-yl-methanone::[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone::[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furyl)methanone::[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(furan-2-yl)methanone::cid_828535

SMILES CSc1nc(nn1C(=O)c1ccco1)-c1ccc(Cl)cc1

InChI Key InChIKey=LPHQKRKEXZBEJK-UHFFFAOYSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 33642   

TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33642(MLS000527911 | SMR000120485 | [3-(4-Chloro-phenyl)...)
Affinity DataIC50:  2.31E+3nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33642(MLS000527911 | SMR000120485 | [3-(4-Chloro-phenyl)...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33642(MLS000527911 | SMR000120485 | [3-(4-Chloro-phenyl)...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33642(MLS000527911 | SMR000120485 | [3-(4-Chloro-phenyl)...)
Affinity DataIC50: >7.94E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay