BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F

InChI Key: InChIKey=HCGYTLSSUHSQGE-HKUYNNGSSA-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 8 hits for monomerid = 346173   
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))
BDBM346173
PNG
(US10202371, Example 3)
Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/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 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM346173
PNG
(US10202371, Example 3)
Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/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 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM346173
PNG
(US10202371, Example 3)
Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/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 US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM346173
PNG
(US10202371, Example 3)
Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/m0/s1
PDB

UniProtKB/SwissProt

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



Novartis AG

US Patent


Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...


US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM346173
PNG
(US10202371, Example 3)
Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/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 850n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
TR-FRET assays for protein kinases uses a long-lifetime lanthanide Terbium or Europium chelates as the donor species which overcome interference by c...


US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Rattus norvegicus (Rat))
BDBM346173
PNG
(US10202371, Example 3)
Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 74n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...


US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Rattus norvegicus (Rat))
BDBM346173
PNG
(US10202371, Example 3)
Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...


US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM346173
PNG
(US10202371, Example 3)
Show SMILES COc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O5/c1-37-14-4-2-13(3-5-14)19-17(12-35)34(23(36)39-19)18-10-16(30-22(31-18)33-6-8-38-9-7-33)15-11-29-21(28)32-20(15)24(25,26)27/h2-5,10-11,17,19,35H,6-9,12H2,1H3,(H2,28,29,32)/t17-,19-/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 110n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair