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BDBM203464 US9539260, B107::US9763952, Example B107

SMILES: COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12

InChI Key: InChIKey=MELJODDZXFQOMJ-INIZCTEOSA-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 = 203464   
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))
BDBM203464
PNG
(US9539260, B107 | US9763952, Example B107)
Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12
Show InChI InChI=1S/C21H24ClN3O5/c1-28-21-17(22)10-14(12-23-21)25-7-9-29-19-3-2-15(11-18(19)25)30-16-4-6-24(13-16)20(27)5-8-26/h2-3,10-12,16,26H,4-9,13H2,1H3/t16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 239n/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))
BDBM203464
PNG
(US9539260, B107 | US9763952, Example B107)
Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12
Show InChI InChI=1S/C21H24ClN3O5/c1-28-21-17(22)10-14(12-23-21)25-7-9-29-19-3-2-15(11-18(19)25)30-16-4-6-24(13-16)20(27)5-8-26/h2-3,10-12,16,26H,4-9,13H2,1H3/t16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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))
BDBM203464
PNG
(US9539260, B107 | US9763952, Example B107)
Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12
Show InChI InChI=1S/C21H24ClN3O5/c1-28-21-17(22)10-14(12-23-21)25-7-9-29-19-3-2-15(11-18(19)25)30-16-4-6-24(13-16)20(27)5-8-26/h2-3,10-12,16,26H,4-9,13H2,1H3/t16-/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 239n/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))
BDBM203464
PNG
(US9539260, B107 | US9763952, Example B107)
Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)CCO)cc12
Show InChI InChI=1S/C21H24ClN3O5/c1-28-21-17(22)10-14(12-23-21)25-7-9-29-19-3-2-15(11-18(19)25)30-16-4-6-24(13-16)20(27)5-8-26/h2-3,10-12,16,26H,4-9,13H2,1H3/t16-/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 4n/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