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BDBM337485 US9745321, Compound 107

SMILES: COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(=O)CC3)c(C)sc12)N1CCOCC1

InChI Key: InChIKey=MWJSKSVQGNZFDA-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 = 337485   
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))
BDBM337485
PNG
(US9745321, Compound 107)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1nc(nc2c(CN3CCC(=O)CC3)c(C)sc12)N1CCOCC1
Show InChI InChI=1S/C24H30N6O5S2/c1-15-18(14-29-6-4-17(31)5-7-29)21-22(36-15)20(26-24(27-21)30-8-10-35-11-9-30)16-12-19(28-37(3,32)33)23(34-2)25-13-16/h12-13,28H,4-11,14H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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