BDBM50421801 CHEMBL5280198

SMILES [H][C@]1([#8]-[#6@@H]-2-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])[#6@H](-[#8]-c2c(oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c3c2=O)-c2ccc(-[#8])cc2)-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@H]1-[#8]

InChI Key InChIKey=BWDBQUZRTNRSSJ-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 = 50421801   

TargetSolute carrier family 22 member 1(Human)
Tianjin University

Curated by ChEMBL
LigandPNGBDBM50421801(CHEMBL5280198)
Affinity DataIC50: 1.12E+4nMAssay Description:Inhibition of OCT1(unknown origin)-mediated ASP+ uptake in HEK293 cells expressing OCT1 using ASP+ as substrate incubated for 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSolute carrier family 22 member 2(Human)
Tianjin University

Curated by ChEMBL
LigandPNGBDBM50421801(CHEMBL5280198)
Affinity DataIC50: 5.65E+4nMAssay Description:Inhibition of OCT2(unknown origin)-mediated ASP+ uptake in HEK293 cells expressing OCT2 using ASP+ as substrate incubated for 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed