BindingDB logo
myBDB logout

BDBM346186 WO2007/084786, Compound 18

SMILES: Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F

InChI Key: InChIKey=MOWPSXBLFARAPT-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 346186   
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/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM346186
PNG
(WO2007/084786, Compound 18)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N8O2/c23-22(24,25)18-15(13-27-19(26)30-18)16-12-17(29-20(28-16)31-8-10-35-11-9-31)33-7-6-32(21(33)34)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 91n/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)

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


(Homo sapiens (Human))
BDBM346186
PNG
(WO2007/084786, Compound 18)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N8O2/c23-22(24,25)18-15(13-27-19(26)30-18)16-12-17(29-20(28-16)31-8-10-35-11-9-31)33-7-6-32(21(33)34)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 236n/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)

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


(Homo sapiens (Human))
BDBM346186
PNG
(WO2007/084786, Compound 18)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N8O2/c23-22(24,25)18-15(13-27-19(26)30-18)16-12-17(29-20(28-16)31-8-10-35-11-9-31)33-7-6-32(21(33)34)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.98E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)

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


(Mus musculus (Mouse))
BDBM346186
PNG
(WO2007/084786, Compound 18)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N8O2/c23-22(24,25)18-15(13-27-19(26)30-18)16-12-17(29-20(28-16)31-8-10-35-11-9-31)33-7-6-32(21(33)34)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,26,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.47E+3n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM346186
PNG
(WO2007/084786, Compound 18)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N8O2/c23-22(24,25)18-15(13-27-19(26)30-18)16-12-17(29-20(28-16)31-8-10-35-11-9-31)33-7-6-32(21(33)34)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30E+3n/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)

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


(Rattus norvegicus (Rat))
BDBM346186
PNG
(WO2007/084786, Compound 18)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N8O2/c23-22(24,25)18-15(13-27-19(26)30-18)16-12-17(29-20(28-16)31-8-10-35-11-9-31)33-7-6-32(21(33)34)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 606n/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)

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


(Rattus norvegicus (Rat))
BDBM346186
PNG
(WO2007/084786, Compound 18)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N8O2/c23-22(24,25)18-15(13-27-19(26)30-18)16-12-17(29-20(28-16)31-8-10-35-11-9-31)33-7-6-32(21(33)34)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,26,27,30)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.58E+3n/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)

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


(Homo sapiens (Human))
BDBM346186
PNG
(WO2007/084786, Compound 18)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2CCN(C2=O)c2ccccc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N8O2/c23-22(24,25)18-15(13-27-19(26)30-18)16-12-17(29-20(28-16)31-8-10-35-11-9-31)33-7-6-32(21(33)34)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.35E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)

More data for this
Ligand-Target Pair