BDBM14345 (2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2-yl}-5-(2-aminophenyl)-4-oxidophenyl)butanedioate::CRA-18607

SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1N)[C@@H](CC([O-])=O)C([O-])=O

InChI Key InChIKey=KLIWSPNZLMZLEF-CQSZACIVSA-L

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 14345   

TargetSerine protease 1(Bos taurus (bovine))
Celera

LigandPNGBDBM14345((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Affinity DataKi:  1.10E+3nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Celera

LigandPNGBDBM14345((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Affinity DataKi:  3.80E+3nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Celera

LigandPNGBDBM14345((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Affinity DataKi:  8.50E+3nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Celera

LigandPNGBDBM14345((2R)-2-(3-{5-[amino(iminiumyl)methyl]-1H-1,3-benzo...)
Affinity DataKi: >7.50E+4nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed