BDBM163513 US9687479, 301 1-(5-[(4-fluorophenyl)methyl]amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)-2,2-dimethylpropan-1-one

SMILES CC(C)(C)C(=O)n1nc(nc1NCc1ccc(F)cc1)-c1ccccn1

InChI Key InChIKey=YXPRTMWKIGRBPY-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 163513   

TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM163513(US9687479, 301 1-(5-[(4-fluorophenyl)methyl]amino-...)
Affinity DataIC50: 1nMAssay 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
LigandPNGBDBM163513(US9687479, 301 1-(5-[(4-fluorophenyl)methyl]amino-...)
Affinity DataIC50: 1.00E+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
TargetPlasma kallikrein(Human)
Verseon

US Patent
LigandPNGBDBM163513(US9687479, 301 1-(5-[(4-fluorophenyl)methyl]amino-...)
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
US Patent