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BDBM358386 4-acetyl-1-(3-{4-amino-5-[1-(2,2- difluoroethyl)-1H-pyrazol-5-yl] pyrrolo[2,1-f][1,2,4]triazin-7-yl} phenyl)-3,3-dimethylpiperazin-2-one::US10214537, Example 456

SMILES: CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)F)c2c(N)ncnn12

InChI Key: InChIKey=UTWAGEVGDDQOQC-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 = 358386   
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))
BDBM358386
PNG
(4-acetyl-1-(3-{4-amino-5-[1-(2,2- difluoroethyl)-1...)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C25H26F2N8O2/c1-15(36)33-10-9-32(24(37)25(33,2)3)17-6-4-5-16(11-17)20-12-18(22-23(28)29-14-31-35(20)22)19-7-8-30-34(19)13-21(26)27/h4-8,11-12,14,21H,9-10,13H2,1-3H3,(H2,28,29,31)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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