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BDBM358223 US10214537, Example 292::methyl 4-(3-(4-amino-5-(1- (tetrahydro-2H-pyran-4-yl)-1H- pyrazol-5-yl)pyrrolo[2,1-f][1,2,4] triazin-7-yl)phenyl)piperazine-1- carboxylate

SMILES: COC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12

InChI Key: InChIKey=GRYCCODUZQEKHQ-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 358223   
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))
BDBM358223
PNG
(US10214537, Example 292 | methyl 4-(3-(4-amino-5-(...)
Show SMILES COC(=O)N1CCN(CC1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C26H30N8O3/c1-36-26(35)32-11-9-31(10-12-32)20-4-2-3-18(15-20)23-16-21(24-25(27)28-17-30-34(23)24)22-5-8-29-33(22)19-6-13-37-14-7-19/h2-5,8,15-17,19H,6-7,9-14H2,1H3,(H2,27,28,30)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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