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BDBM204122 US9539260, M::US9763952, Example M

SMILES: Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)c3ccccn3)cc12

InChI Key: InChIKey=WJFMMLOBCBKZDV-FQEVSTJZSA-N

Data: 4 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 4 hits for monomerid = 204122   
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 alpha isoform


(Homo sapiens (Human))
BDBM204122
PNG
(US9539260, M | US9763952, Example M)
Show SMILES Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)c3ccccn3)cc12
Show InChI InChI=1S/C24H26N4O4S/c1-17-13-18(15-26-24(17)33(2,29)30)28-11-12-31-22-7-6-19(14-21(22)28)32-20-8-10-27(16-20)23-5-3-4-9-25-23/h3-7,9,13-15,20H,8,10-12,16H2,1-2H3/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 304n/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 delta isoform


(Homo sapiens (Human))
BDBM204122
PNG
(US9539260, M | US9763952, Example M)
Show SMILES Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)c3ccccn3)cc12
Show InChI InChI=1S/C24H26N4O4S/c1-17-13-18(15-26-24(17)33(2,29)30)28-11-12-31-22-7-6-19(14-21(22)28)32-20-8-10-27(16-20)23-5-3-4-9-25-23/h3-7,9,13-15,20H,8,10-12,16H2,1-2H3/t20-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



NOVARTIS AG

US Patent




US Patent US9763952 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM204122
PNG
(US9539260, M | US9763952, Example M)
Show SMILES Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)c3ccccn3)cc12
Show InChI InChI=1S/C24H26N4O4S/c1-17-13-18(15-26-24(17)33(2,29)30)28-11-12-31-22-7-6-19(14-21(22)28)32-20-8-10-27(16-20)23-5-3-4-9-25-23/h3-7,9,13-15,20H,8,10-12,16H2,1-2H3/t20-/m0/s1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 304n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and p...


US Patent US9763952 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM204122
PNG
(US9539260, M | US9763952, Example M)
Show SMILES Cc1cc(cnc1S(C)(=O)=O)N1CCOc2ccc(O[C@H]3CCN(C3)c3ccccn3)cc12
Show InChI InChI=1S/C24H26N4O4S/c1-17-13-18(15-26-24(17)33(2,29)30)28-11-12-31-22-7-6-19(14-21(22)28)32-20-8-10-27(16-20)23-5-3-4-9-25-23/h3-7,9,13-15,20H,8,10-12,16H2,1-2H3/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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