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BDBM358407 4-acetyl-1-(3-{4-amino-5-[1-(propan- 2-yl)-1H-1,2,3-triazol-5-yl]pyrrolo[2,1- f][1,2,4]triazin-7-yl}phenyl)-3,3- dimethylpiperazin-2-one::US10214537, Example 477

SMILES: CC(C)n1nncc1-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12

InChI Key: InChIKey=VGSLLAXCZNJKHW-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 = 358407   
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))
BDBM358407
PNG
(4-acetyl-1-(3-{4-amino-5-[1-(propan- 2-yl)-1H-1,2,...)
Show SMILES CC(C)n1nncc1-c1cc(-c2cccc(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
Show InChI InChI=1S/C25H29N9O2/c1-15(2)33-21(13-28-30-33)19-12-20(34-22(19)23(26)27-14-29-34)17-7-6-8-18(11-17)31-9-10-32(16(3)35)25(4,5)24(31)36/h6-8,11-15H,9-10H2,1-5H3,(H2,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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