BDBM12597 CHEMBL48046::RPR128515::methyl (2R,3R)-2-{3-[amino(imino)methyl]benzyl}-3-({[3-(aminomethyl)-1,1-biphenyl-4-yl]carbonyl}amino)butanoate::methyl (2R,3R)-3-({4-[3-(aminomethyl)phenyl]phenyl}formamido)-2-[(3-carbamimidoylphenyl)methyl]butanoate

SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1

InChI Key InChIKey=XFKVLKLCLYJKNF-MZNJEOGPSA-N

Data  8 KI

PDB links: 2 PDB IDs match 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 8 hits for monomerid = 12597   

TargetCoagulation factor X(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM12597(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Affinity DataKi:  0.900nM ΔG°:  -12.2kcal/molepH: 7.5 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
TargetCoagulation factor X(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM12597(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Affinity DataKi:  0.900nM ΔG°:  -12.2kcal/molepH: 7.5 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
TargetCoagulation factor X(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM12597(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Affinity DataKi:  0.900nMAssay Description:In vitro inhibitory activity against human Coagulation factor XaMore data for this Ligand-Target Pair
TargetSerine protease 1(Homo sapiens (Human))
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12597(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Affinity DataKi:  69nMAssay Description:In vitro inhibitory activity against human trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Aventis Pharma

LigandPNGBDBM12597(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Affinity DataKi:  69nM ΔG°:  -9.66kcal/molepH: 7.5 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
TargetSerine protease 1(Bos taurus (bovine))
Aventis Pharma

LigandPNGBDBM12597(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Affinity DataKi:  69nM ΔG°:  -9.66kcal/molepH: 7.5 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
TargetProthrombin(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM12597(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Affinity DataKi: >3.00E+3nM ΔG°: >-7.45kcal/molepH: 7.5 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))
Aventis Pharma

LigandPNGBDBM12597(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Affinity DataKi: >3.00E+3nM ΔG°: >-7.45kcal/molepH: 7.5 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