BDBM50123491 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE::2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-pyridin-2-ylmethyl)-acetamide::CHEMBL141889

SMILES CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F

InChI Key InChIKey=JXHWVKOKYDAROD-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50123491   

TargetProthrombin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50123491(2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]...)
Affinity DataKi:  4.20nMAssay Description:Inhibitory constant against thrombin (IIa) More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50123491(2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]...)
Affinity DataKi:  4.20nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine protease 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50123491(2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]...)
Affinity DataKi:  2.52E+5nMAssay Description:Inhibitory constant against human trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTrypsin(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50123491(2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]...)
Affinity DataKi:  2.52E+5nMAssay Description:Inhibition of trypsin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed