BDBM33807 1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-propanone::1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one::1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one::MLS000719010::SMR000291278::US9687479, 340 1-[3-(pyridin-3-yl)-5-[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl]propan-1-one::cid_3978169

SMILES CCC(=O)n1nc(nc1NCc1cccs1)-c1cccnc1

InChI Key InChIKey=USPONIIDTPKNCY-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 3 hits for monomerid = 33807   

TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33807(1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,...)
Affinity DataIC50:  2.36nMpH: 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
TargetPlasma kallikrein(Homo sapiens (Human))
Verseon

US Patent
LigandPNGBDBM33807(1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,...)
Affinity DataIC50:  5.50E+4nMpH: 7.4 T: 2°CAssay Description:Human KLKB1 protein was obtained from Enzyme Research Labs. The chromogenic substrate S-2302 was obtained from DiaPharma. KLKB1 was assayed in buffer...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM33807(1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,...)
Affinity DataEC50: >1.95E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay