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BDBM337412 US9745321, Compound 30

SMILES: CC(C)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-n2ccnc2C(F)(F)F)CC1

InChI Key: InChIKey=UZHAWMXYSJIOAV-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 = 337412   
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))
BDBM337412
PNG
(US9745321, Compound 30)
Show SMILES CC(C)C(=O)N1CCN(Cc2csc3c(nc(nc23)N2CCOCC2)-n2ccnc2C(F)(F)F)CC1
Show InChI InChI=1S/C23H28F3N7O2S/c1-15(2)20(34)31-7-5-30(6-8-31)13-16-14-36-18-17(16)28-22(32-9-11-35-12-10-32)29-19(18)33-4-3-27-21(33)23(24,25)26/h3-4,14-15H,5-13H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 71n/an/an/an/an/an/a



Shanghai Yingli Pharmaceutical Co., Ltd

US Patent


Assay Description
1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS.2. Compound was formulated in 100% DMSO in a concentratio...


US Patent US9745321 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4MM0
More data for this
Ligand-Target Pair