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 NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(O)=O)C2CC2)C1

InChI Key InChIKey=BYDKEYCXCIVOOV-JTSKRJEESA-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(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037991(CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...)
Affinity DataKi:  0.270nMAssay Description:In vitro binding affinity by measuring the inhibition of human thrombinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037991(CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity against Thrombin.Checked by AuthorMore data for this Ligand-Target Pair
TargetAnionic trypsin(Bos taurus)
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50037991(CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...)
Affinity DataKi:  1.90E+3nMAssay Description:Binding affinity against Trypsin.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037991(CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...)
Affinity DataKi:  1.90E+3nMAssay Description:In vitro binding affinity by measuring the inhibition of bovine trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed