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BDBM284843 4-(6-(4-amino-5-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5- yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl)-1H-indazol-1-yl)tetrahydro- 2H-thiopyran 1,1-dioxide::US10023576, Example 33

SMILES: Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1ccc2cnn(C3CCS(=O)(=O)CC3)c2c1

InChI Key: InChIKey=BKWJHAPUNHTGEL-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 = 284843   
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))
BDBM284843
PNG
(4-(6-(4-amino-5-(1-(tetrahydro-2H-pyran-4-yl)-1H-p...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCCCC3)c12)-c1ccc2cnn(C3CCS(=O)(=O)CC3)c2c1
Show InChI InChI=1S/C27H30N8O2S/c28-27-26-22(23-8-11-30-33(23)20-4-2-1-3-5-20)15-25(35(26)32-17-29-27)18-6-7-19-16-31-34(24(19)14-18)21-9-12-38(36,37)13-10-21/h6-8,11,14-17,20-21H,1-5,9-10,12-13H2,(H2,28,29,32)
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/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