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BDBM204087 US9539260, F4

SMILES: COc1ncc(cc1C#N)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12

InChI Key: InChIKey=XUHPBCWECDJQQR-IBGZPJMESA-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 = 204087   
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


(Homo sapiens (human))
BDBM204087
PNG
(US9539260, F4)
Show SMILES COc1ncc(cc1C#N)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C24H27N5O5/c1-31-23-17(12-25)10-18(13-27-23)29-6-9-33-21-14-26-22(11-20(21)29)34-19-2-5-28(15-19)24(30)16-3-7-32-8-4-16/h10-11,13-14,16,19H,2-9,15H2,1H3/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



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))
BDBM204087
PNG
(US9539260, F4)
Show SMILES COc1ncc(cc1C#N)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)cc12
Show InChI InChI=1S/C24H27N5O5/c1-31-23-17(12-25)10-18(13-27-23)29-6-9-33-21-14-26-22(11-20(21)29)34-19-2-5-28(15-19)24(30)16-3-7-32-8-4-16/h10-11,13-14,16,19H,2-9,15H2,1H3/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 577n/an/an/an/an/an/a



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