BDBM74517 1-{[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine::MLS000733317::SMR000315953::[4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolyl]methyl]-1-piperazinyl]-(1H-1,2,4-triazol-5-yl)methanone::[4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone::[4-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl]piperazino]-(1H-1,2,4-triazol-5-yl)methanone::cid_16188415

SMILES Cc1cccc(c1)-n1cc(CN2CCN(CC2)C(=O)c2nnc[nH]2)c(n1)-c1cccc(F)c1

InChI Key InChIKey=XZVYKXQQXQMZRI-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 74517   

TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 74517BDBM74517(1-{[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyraz...)
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 Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 74517BDBM74517(1-{[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyraz...)
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 Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 74517BDBM74517(1-{[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyraz...)
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 Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay