BDBM13779 2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid::benzimidazole 3

SMILES OC(=O)Cc1cc(-c2nc3ccccc3[nH]2)c(O)c(c1)-c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=CIPMQPTWGWCBLF-UHFFFAOYSA-N

Data  4 KI

  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 = 13779   

TargetCoagulation factor VII(Human)
Celera

LigandPNGBDBM13779(2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...)
Affinity DataKi:  1.10E+4nM ΔG°:  -6.69kcal/molepH: 7.4 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2007
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Celera

LigandPNGBDBM13779(2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...)
Affinity DataKi: >1.50E+5nM ΔG°: >-5.16kcal/molepH: 7.4 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2007
Entry Details Article
PubMed
TargetProthrombin(Human)
Celera

LigandPNGBDBM13779(2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...)
Affinity DataKi: >1.50E+5nM ΔG°: >-5.16kcal/molepH: 7.4 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2007
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
Celera

LigandPNGBDBM13779(2-[3-(1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitr...)
Affinity DataKi: >1.50E+5nM ΔG°: >-5.16kcal/molepH: 7.4 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2007
Entry Details Article
PubMed