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BDBM337450 US9745321, Compound 72

SMILES: COc1ncc(cc1NS(=O)(=O)N(C)C)-c1nc(nc2c(CN3CCN(C)CC3)csc12)N1CCOCC1

InChI Key: InChIKey=LQYUJHSDKHRLHZ-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 = 337450   
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))
BDBM337450
PNG
(US9745321, Compound 72)
Show SMILES COc1ncc(cc1NS(=O)(=O)N(C)C)-c1nc(nc2c(CN3CCN(C)CC3)csc12)N1CCOCC1
Show InChI InChI=1S/C24H34N8O4S2/c1-29(2)38(33,34)28-19-13-17(14-25-23(19)35-4)20-22-21(27-24(26-20)32-9-11-36-12-10-32)18(16-37-22)15-31-7-5-30(3)6-8-31/h13-14,16,28H,5-12,15H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/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