BDBM50037991 CHEMBL325166::NAPSAGATRAN::Ro-46-6240::{[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-cyclopropyl-amino}-acetic acid::{[3-[(1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-cyclopropyl-amino}-acetic acid(napsagatran(RO46-6240))

SMILES [H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3ccc4ccccc4c3

InChI Key InChIKey=BYDKEYCXCIVOOV-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 = 50037991   

TargetProthrombin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037991({[3-[(1-Carbamimidoyl-piperidin-3-ylmethyl)-carbam...)
Affinity DataKi:  0.270nMAssay Description:In vitro binding affinity by measuring the inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037991({[3-[(1-Carbamimidoyl-piperidin-3-ylmethyl)-carbam...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity against Thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine protease 1(Bovine)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037991({[3-[(1-Carbamimidoyl-piperidin-3-ylmethyl)-carbam...)
Affinity DataKi:  1.90E+3nMAssay Description:In vitro binding affinity by measuring the inhibition of bovine trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed
TargetAnionic trypsin(Bovine)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50037991({[3-[(1-Carbamimidoyl-piperidin-3-ylmethyl)-carbam...)
Affinity DataKi:  1.90E+3nMAssay Description:Binding affinity against Trypsin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed