BDBM50520502 CHEMBL4447903

SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](O)\C(C)=C\C=C\[C@@H]1C

InChI Key InChIKey=TVOXGUCNTJQSOX-YXKAYWIHSA-N

Data  1 KI  2 IC50

  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 = 50520502   

TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£T Bonn

Curated by ChEMBL
LigandPNGBDBM50520502(CHEMBL4447903)
Affinity DataKi:  1.38E+3nMAssay Description:Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 3(Homo sapiens (Human))
Universit£T Bonn

Curated by ChEMBL
LigandPNGBDBM50520502(CHEMBL4447903)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human P2X3 assessed as reduction in agonist-induced intracellular Ca2+ concentration pre-incubated for 30 mins before agonist addition ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Universit£T Bonn

Curated by ChEMBL
LigandPNGBDBM50520502(CHEMBL4447903)
Affinity DataIC50:  1.54E+3nMAssay Description:Inhibition of human leukocyte elastase assessed as reduction in pNA release using chromogenic MeO-Suc-Ala-Ala-Pro-Val-pNA substrate measured over 10 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed