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BDBM358447 4-acetyl-1-[3-(4-amino-5-{1-[(2H7) propan-2-yl]-1H-pyrazol-4-yl} pyrrolo[2,1-f][1,2,4]triazin-7-yl)-5- fluorophenyl]-3,3-dimethylpiperazin-2- one::US10214537, Example 517

SMILES: CC(C)n1cc(cn1)-c1cc(-c2cc(F)cc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12

InChI Key: InChIKey=WLVZVJJRTLDGGX-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 358447   
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))
BDBM358447
PNG
(4-acetyl-1-[3-(4-amino-5-{1-[(2H7) propan-2-yl]-1H...)
Show SMILES CC(C)n1cc(cn1)-c1cc(-c2cc(F)cc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
Show InChI InChI=1S/C26H29FN8O2/c1-15(2)34-13-18(12-30-34)21-11-22(35-23(21)24(28)29-14-31-35)17-8-19(27)10-20(9-17)32-6-7-33(16(3)36)26(4,5)25(32)37/h8-15H,6-7H2,1-5H3,(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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