BDBM50620487 CHEMBL5437512

SMILES [#6][Si]1([#6])[#6]-2=[#6]\[#6](-[#6]=[#6]-[#6]-2=[#6](-c2ccc(cc12)-[#7]-1-[#6]-[#6]-[#6]-1)-c1cc(ccc1-[#6](-[#8-])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6](-[#6]-[#6]-2)-c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)-[#6](-[#8])=O)nn1)=[#7+]-1\[#6]-[#6]-[#6]-1

InChI Key InChIKey=XTWLBFNLYHZDOE-UHFFFAOYSA-M

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50620487   

TargetP2Y purinoceptor 14(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620487BDBM50620487(CHEMBL5437512)
Affinity DataKi:  9.24E+3nMAssay Description:Displacement of fluorescent tracer 4-(4-(1-(4-(1-(6-(3-carboxylato-4-(3-iminio-3H-xanthen-9-yl)benzamido)hexyl)-4,5-dihydro-1H-pyrrol-3-yl)butyl)pipe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetP2Y purinoceptor 14(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50620487BDBM50620487(CHEMBL5437512)
Affinity DataIC50: 2.59E+4nMAssay Description:Displacement of fluorescent tracer 4-(4-(1-(4-(1-(6-(3-carboxylato-4-(3-iminio-3H-xanthen-9-yl)benzamido)hexyl)-4,5-dihydro-1H-pyrrol-3-yl)butyl)pipe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed