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BDBM358557 4-acetyl-1-(5-(4-amino-5-(1- cyclopropyl-1H-pyrazol-4-yl)pyrrolo [2,1-f][1,2,4]triazin-7-yl)-2- fluorophenyl)-3,3-dimethyl-5,5,6,6- tetradeuteropiperazin-2-one::US10214537, Example 634

SMILES: CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2cnn(c2)C2CC2)c2c(N)ncnn12

InChI Key: InChIKey=OMADCHKSAMFDAG-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 = 358557   
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))
BDBM358557
PNG
(4-acetyl-1-(5-(4-amino-5-(1- cyclopropyl-1H-pyrazo...)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(-c2cnn(c2)C2CC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H27FN8O2/c1-15(36)33-9-8-32(25(37)26(33,2)3)22-10-16(4-7-20(22)27)21-11-19(23-24(28)29-14-31-35(21)23)17-12-30-34(13-17)18-5-6-18/h4,7,10-14,18H,5-6,8-9H2,1-3H3,(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 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