BDBM33812 1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]propan-1-one::1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-propanone::1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one::MLS000719020::SMR000291288::US9687479, 7 1-(5-[(4-fluorophenyl)methyl]amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)propan-1-one::cid_3922884

SMILES CCC(=O)n1nc(nc1NCc1ccc(F)cc1)-c1cccnc1

InChI Key InChIKey=HWYXHDNBDAGMIR-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 33812   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33812(1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)...)
Affinity DataIC50: 1nMpH: 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 Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetPlasma kallikrein(Human)
Verseon

US Patent
LigandPNGBDBM33812(1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)...)
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 Depth
Date in BDB:
3/10/2018
Entry Details
Go to US Patent

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33812(1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)...)
Affinity DataIC50: 9nMAssay Description:Inhibition of human thrombin using S-2238 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetCoagulation factor X(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM33812(1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)...)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of human factor Xa using S-2765 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed