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BDBM203388 US9539260, B45

SMILES: COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)COS(C)(=O)=O)cc12

InChI Key: InChIKey=JZSBYBDYZCKCDO-AGDOHHJYNA-N

Data: 2 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 2 hits for monomerid = 203388   
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))
BDBM203388
PNG
(US9539260, B45)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)COS(C)(=O)=O)cc12
Show InChI InChI=1/C22H27N3O8S/c1-29-20-10-15(12-23-22(20)30-2)25-8-9-31-19-5-4-16(11-18(19)25)33-17-6-7-24(13-17)21(26)14-32-34(3,27)28/h4-5,10-12,17H,6-9,13-14H2,1-3H3/t17-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 74.5n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Determination of Enzymatic PI3K Alpha and PI3K Delta Isoform Inhibition1.1 Test of Lipid Kinase ActivityThe efficacy of the compounds of examples 1-1...


US Patent US9539260 (2017)


BindingDB Entry DOI: 10.7270/Q2W37TH1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM203388
PNG
(US9539260, B45)
Show SMILES COc1cc(cnc1OC)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)COS(C)(=O)=O)cc12
Show InChI InChI=1/C22H27N3O8S/c1-29-20-10-15(12-23-22(20)30-2)25-8-9-31-19-5-4-16(11-18(19)25)33-17-6-7-24(13-17)21(26)14-32-34(3,27)28/h4-5,10-12,17H,6-9,13-14H2,1-3H3/t17-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 574n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
Determination of Enzymatic PI3K Alpha and PI3K Delta Isoform Inhibition1.1 Test of Lipid Kinase ActivityThe efficacy of the compounds of examples 1-1...


US Patent US9539260 (2017)


BindingDB Entry DOI: 10.7270/Q2W37TH1
More data for this
Ligand-Target Pair