BDBM50200626 CHEMBL3935870

SMILES COc1ccc(Cn2c(CCC(=O)N[C@H](C)c3ccccc3)nc3cccnc23)cc1

InChI Key InChIKey=SIHBNWJKTANPSL-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50200626   

TargetAutotaxin(Human)
Babraham Research Campus

Curated by ChEMBL
LigandPNGBDBM50200626(CHEMBL3935870)
Affinity DataIC50: 1.06E+3nMAssay Description:Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2018
Entry Details Article
PubMed
TargetAutotaxin(Human)
Babraham Research Campus

Curated by ChEMBL
LigandPNGBDBM50200626(CHEMBL3935870)
Affinity DataIC50: 8.50E+3nMAssay Description:Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2018
Entry Details Article
PubMed