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

InChI Key: InChIKey=ALHTUYGSCDRGMC-KRWDZBQOSA-N

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 = 341005   
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))
BDBM341005
PNG
(US9763952, Example E1 | US9763952, Example F1 | {(...)
Show SMILES COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)cc12 |r|
Show InChI InChI=1S/C23H30N4O5/c1-15-10-16(12-25-21(15)29-5)27-8-9-30-19-13-24-20(11-18(19)27)31-17-6-7-26(14-17)22(28)32-23(2,3)4/h10-13,17H,6-9,14H2,1-5H3/t17-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 98n/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)


BindingDB Entry DOI: 10.7270/Q2V40X9Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341005
PNG
(US9763952, Example E1 | US9763952, Example F1 | {(...)
Show SMILES COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)cc12 |r|
Show InChI InChI=1S/C23H30N4O5/c1-15-10-16(12-25-21(15)29-5)27-8-9-30-19-13-24-20(11-18(19)27)31-17-6-7-26(14-17)22(28)32-23(2,3)4/h10-13,17H,6-9,14H2,1-5H3/t17-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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



NOVARTIS AG

US Patent




US Patent US9763952 (2017)


BindingDB Entry DOI: 10.7270/Q2V40X9Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM341005
PNG
(US9763952, Example E1 | US9763952, Example F1 | {(...)
Show SMILES COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)cc12 |r|
Show InChI InChI=1S/C23H30N4O5/c1-15-10-16(12-25-21(15)29-5)27-8-9-30-19-13-24-20(11-18(19)27)31-17-6-7-26(14-17)22(28)32-23(2,3)4/h10-13,17H,6-9,14H2,1-5H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 109n/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)


BindingDB Entry DOI: 10.7270/Q2V40X9Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM341005
PNG
(US9763952, Example E1 | US9763952, Example F1 | {(...)
Show SMILES COc1ncc(cc1C)N1CCOc2cnc(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)cc12 |r|
Show InChI InChI=1S/C23H30N4O5/c1-15-10-16(12-25-21(15)29-5)27-8-9-30-19-13-24-20(11-18(19)27)31-17-6-7-26(14-17)22(28)32-23(2,3)4/h10-13,17H,6-9,14H2,1-5H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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)


BindingDB Entry DOI: 10.7270/Q2V40X9Z
More data for this
Ligand-Target Pair