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BDBM284814 1-(4-(5-(4-amino-5-(1-(tetrahydro-2H-pyran-4-yl)-1H-1,2,3- triazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridin-3-yl) piperazin-1-yl)ethanone, TFA::US10023576, Example 4

SMILES: CC(=O)N1CCN(CC1)c1cncc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12

InChI Key: InChIKey=CRJDUUZROUJHRL-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 = 284814   
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))
BDBM284814
PNG
(1-(4-(5-(4-amino-5-(1-(tetrahydro-2H-pyran-4-yl)-1...)
Show SMILES CC(=O)N1CCN(CC1)c1cncc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C24H28N10O2/c1-16(35)31-4-6-32(7-5-31)19-10-17(12-26-13-19)21-11-20(23-24(25)27-15-29-34(21)23)22-14-28-30-33(22)18-2-8-36-9-3-18/h10-15,18H,2-9H2,1H3,(H2,25,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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