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BDBM284877 7-(2-(2-(Methylsulfonyl)phenyl)pyridin-4-yl)-5-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US10023576, Example 68

SMILES: CS(=O)(=O)c1ccccc1-c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12

InChI Key: InChIKey=LGCTXRHMYBTOQQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 284877   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM284877
PNG
(7-(2-(2-(Methylsulfonyl)phenyl)pyridin-4-yl)-5-(1-...)
Show SMILES CS(=O)(=O)c1ccccc1-c1cc(ccn1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H25N7O3S/c1-37(34,35)24-5-3-2-4-19(24)21-14-17(6-10-28-21)23-15-20(25-26(27)29-16-31-33(23)25)22-7-11-30-32(22)18-8-12-36-13-9-18/h2-7,10-11,14-16,18H,8-9,12-13H2,1H3,(H2,27,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/a7.525



Bristol-Myers Squibb Co.

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10023576 (2018)


BindingDB Entry DOI: 10.7270/Q2FQ9ZND
More data for this
Ligand-Target Pair