BDBM50279766 CHEMBL213783::{2-{5-Benzyloxy-4-[4-(5-benzyloxy-4-hydroxymethyl-2-methoxy-benzyl)-5-carboxymethoxy-2-methoxy-benzyl]-2-methoxy-benzyl}-5-[2-benzyloxy-4-(2-carboxymethoxy-5-hydroxy-benzyl)-5-methoxy-benzyl]-4-methoxy-phenoxy}-acetic acid

SMILES COc1cc(CO)c(OCc2ccccc2)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCc4ccccc4)cc3OCC(O)=O)cc2OCc2ccccc2)cc1OCC(O)=O

InChI Key InChIKey=PLRUYADVNZHFAE-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50279766   

TargetNeutrophil elastase(Homo sapiens (Human))
RhôNe-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50279766(CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...)
Affinity DataKi:  200nMAssay Description:Inhibitory activity against human leukocyte elastaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin G(Homo sapiens (Human))
RhôNe-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50279766(CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...)
Affinity DataKi:  1.50E+3nMpH: 7.5Assay Description:Inhibition of cathepsin G at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Suc-Ala-Ala-Pro-Phe-pNA.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
RhôNe-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50279766(CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...)
Affinity DataKi: >1.50E+4nMpH: 7.5Assay Description:Inhibition of thrombin at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Bz-Phe-Val-Arg-pNA.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed