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BDBM284860 1-(6-(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)-1H-indazol-1-yl)-3- fluoropropan-2-ol::US10023576, Example 50

SMILES: Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ncn(CC(O)CF)c2c1

InChI Key: InChIKey=CHWPQDYOXRJWKP-UHFFFAOYNA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 284860   
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))
BDBM284860
PNG
(1-(6-(4-amino-5-(1-(tetrahydro-2H-pyran-4-yl)-1H-1...)
Show SMILES Nc1ncnn2c(cc(-c3cnnn3C3CCOCC3)c12)-c1ccc2ncn(CC(O)CF)c2c1
Show InChI InChI=1/C23H24FN9O2/c24-9-16(34)11-31-13-27-18-2-1-14(7-20(18)31)19-8-17(22-23(25)26-12-29-33(19)22)21-10-28-30-32(21)15-3-5-35-6-4-15/h1-2,7-8,10,12-13,15-16,34H,3-6,9,11H2,(H2,25,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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