BDBM50462132 CHEMBL502016

SMILES [H]/N=C(\N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C

InChI Key InChIKey=KXNPVXPOPUZYGB-UHFFFAOYSA-N

Data  1 KI  3 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50462132   

TargetProthrombin(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM50462132(CHEMBL502016)
Affinity DataIC50: 210nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCoagulation factor X(Human)
Verseon

Curated by ChEMBL
LigandPNGBDBM50462132(CHEMBL502016)
Affinity DataIC50: 7.10E+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
TargetProthrombin(Mouse)
Verseon

Curated by ChEMBL
LigandPNGBDBM50462132(CHEMBL502016)
Affinity DataIC50: 520nMAssay Description:Inhibition of mouse thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Bovine)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50462132(CHEMBL502016)
Affinity DataKi:  20nMAssay Description:Inhibition of bovine alpha thrombin using H-D-Phe-PigArg-pNA as substrate by spectrophotometerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)