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BDBM358225 7-(3-(4-(methylsulfonyl)piperazin-1- yl)phenyl)-5-(1-(tetrahydro-2H- pyran-4-yl)-1H-pyrazol-5-yl)pyrrolo [2,1-f][1,2,4]triazin-4-amine::US10214537, Example 294

SMILES: CS(=O)(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12

InChI Key: InChIKey=CCBOTJLIPULDSC-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 = 358225   
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))
BDBM358225
PNG
(7-(3-(4-(methylsulfonyl)piperazin-1- yl)phenyl)-5-...)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C25H30N8O3S/c1-37(34,35)31-11-9-30(10-12-31)20-4-2-3-18(15-20)23-16-21(24-25(26)27-17-29-33(23)24)22-5-8-28-32(22)19-6-13-36-14-7-19/h2-5,8,15-17,19H,6-7,9-14H2,1H3,(H2,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



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 US10214537 (2019)


BindingDB Entry DOI: 10.7270/Q2HH6NB2
More data for this
Ligand-Target Pair