BDBM212113 US9290485, 145

SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1

InChI Key InChIKey=OINOKQVNBGAIMA-UHFFFAOYSA-N

Data  3 IC50

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 212113   

TargetPlasma kallikrein(Human)
Novartis

US Patent
LigandPNGBDBM212113(US9290485, 145)
Affinity DataIC50: 0.200nMpH: 7.8 T: 2°CAssay Description:Enzymatic reactions were conducted in assay buffer , comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For the det...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetPlasma kallikrein(Human)
Novartis

US Patent
LigandPNGBDBM212113(US9290485, 145)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of human plasma kallikrein incubated for 1 hrsMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetCoagulation factor XI(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM212113(US9290485, 145)
Affinity DataIC50: 1.06E+5nMAssay Description:Inhibition of human fXIa incubated for 1 hrsMore data for this Ligand-Target Pair
In DepthDetails
PubMed