BDBM33791 1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one::1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-methyl-1-propanone::1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methyl-propan-1-one::1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one::MLS000719021::SMR000291289::US9687479, 315 1-(5-[(4-fluorophenyl)methyl]amino-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl)-2-methylpropan-1-one::cid_3934876

SMILES CC(C)C(=O)n1nc(nc1NCc1ccc(F)cc1)-c1cccnc1

InChI Key InChIKey=YPCJTDICOPOBBN-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 33791   

TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33791(1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-t...)
Affinity DataIC50:  5.67nMpH: 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
LigandPNGBDBM33791(1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-t...)
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
TargetPlasma kallikrein(Homo sapiens (Human))
Verseon

US Patent
LigandPNGBDBM33791(1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-t...)
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
TargetBcl-2-like protein 11(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM33791(1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-t...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay