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BDBM337461 US9745321, Compound 83

SMILES: COC1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1

InChI Key: InChIKey=UXEMHWXIQBBIBR-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 = 337461   
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))
BDBM337461
PNG
(US9745321, Compound 83)
Show SMILES COC1CCN(Cc2c(C)sc3c(nc(nc23)N2CCOCC2)-c2cnc(OC)c(NS(C)(=O)=O)c2)CC1
Show InChI InChI=1S/C25H34N6O5S2/c1-16-19(15-30-7-5-18(34-2)6-8-30)22-23(37-16)21(27-25(28-22)31-9-11-36-12-10-31)17-13-20(29-38(4,32)33)24(35-3)26-14-17/h13-14,18,29H,5-12,15H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11.9n/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