BDBM13776 2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid::CHEMBL207720::amidine-containing inhibitor 1

SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=RQCZRRWVWILIAI-UHFFFAOYSA-N

Data  5 KI

  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 5 hits for monomerid = 13776   

TargetCoagulation factor VII(Homo sapiens (Human))
Celera

LigandPNGBDBM13776(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Affinity DataKi:  15nM ΔG°:  -10.6kcal/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 DepthDetails ArticlePubMed
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Celera Genomics

Curated by ChEMBL
LigandPNGBDBM13776(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Affinity DataKi:  15nMAssay Description:Binding affinity to factor7a/TF complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Celera

LigandPNGBDBM13776(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
Affinity DataKi:  320nM ΔG°:  -8.77kcal/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 DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Celera

LigandPNGBDBM13776(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
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 DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Celera

LigandPNGBDBM13776(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)
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 DepthDetails ArticlePubMed