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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

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 4 hits for monomerid = 33642   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM33642
PNG
(MLS000527911 | SMR000120485 | [3-(4-Chloro-phenyl)...)
Show SMILES CSc1nc(nn1C(=O)c1ccco1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(9-4-6-10(15)7-5-9)17-18(14)13(19)11-3-2-8-20-11/h2-8H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
Article
PCBioAssay
n/an/a 2.31E+3n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay 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, ...


PubChem Bioassay (2008)


Article DOI: 10.1073/pnas.250483897
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM33642
PNG
(MLS000527911 | SMR000120485 | [3-(4-Chloro-phenyl)...)
Show SMILES CSc1nc(nn1C(=O)c1ccco1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(9-4-6-10(15)7-5-9)17-18(14)13(19)11-3-2-8-20-11/h2-8H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/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, ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM33642
PNG
(MLS000527911 | SMR000120485 | [3-(4-Chloro-phenyl)...)
Show SMILES CSc1nc(nn1C(=O)c1ccco1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(9-4-6-10(15)7-5-9)17-18(14)13(19)11-3-2-8-20-11/h2-8H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/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 (2010)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM33642
PNG
(MLS000527911 | SMR000120485 | [3-(4-Chloro-phenyl)...)
Show SMILES CSc1nc(nn1C(=O)c1ccco1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3O2S/c1-21-14-16-12(9-4-6-10(15)7-5-9)17-18(14)13(19)11-3-2-8-20-11/h2-8H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>7.94E+4n/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, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
More data for this
Ligand-Target Pair