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BDBM284872 7-(2-(4-(oxetan-3-yl)piperazin-1- yl)pyridin-4-yl)-5-(1-(tetrahydro-2H- pyran-4-yl)-1H-pyrazol-5-yl)pyrrolo [2,1-f][1,2,4]triazin-4-amine::US10023576, Example 63

SMILES: Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1

InChI Key: InChIKey=NICDXIDBVZCYOJ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 284872   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284872
PNG
(7-(2-(4-(oxetan-3-yl)piperazin-1- yl)pyridin-4-yl)...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C26H31N9O2/c27-26-25-21(22-2-6-30-34(22)19-3-11-36-12-4-19)14-23(35(25)31-17-29-26)18-1-5-28-24(13-18)33-9-7-32(8-10-33)20-15-37-16-20/h1-2,5-6,13-14,17,19-20H,3-4,7-12,15-16H2,(H2,27,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM284872
PNG
(7-(2-(4-(oxetan-3-yl)piperazin-1- yl)pyridin-4-yl)...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1ccnc(c1)N1CCN(CC1)C1COC1
Show InChI InChI=1S/C26H31N9O2/c27-26-25-21(22-2-6-30-34(22)19-3-11-36-12-4-19)14-23(35(25)31-17-29-26)18-1-5-28-24(13-18)33-9-7-32(8-10-33)20-15-37-16-20/h1-2,5-6,13-14,17,19-20H,3-4,7-12,15-16H2,(H2,27,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.525



Bristol-Myers Squibb Company

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