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BDBM284858 7-(1-((2,2-difluorocyclopropyl)methyl)-1H-indazol-6-yl)-5-(1- (tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4] triazin-4-amine::US10023576, Example 48

SMILES: Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2ncn(CC3CC3(F)F)c2c1

InChI Key: InChIKey=GXHQQSQWWYMVDC-UHFFFAOYNA-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 = 284858   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284858
PNG
(7-(1-((2,2-difluorocyclopropyl)methyl)-1H-indazol-...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccc2ncn(CC3CC3(F)F)c2c1
Show InChI InChI=1/C25H24F2N8O/c26-25(27)11-16(25)12-33-14-30-19-2-1-15(9-22(19)33)21-10-18(23-24(28)29-13-32-35(21)23)20-3-6-31-34(20)17-4-7-36-8-5-17/h1-3,6,9-10,13-14,16-17H,4-5,7-8,11-12H2,(H2,28,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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