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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM346182'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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 beta isoform


(Homo sapiens (Human))
BDBM346182
PNG
(US10202371, Example 12)
Show SMILES COCCOc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F
Show InChI InChI=1S/C26H28F3N7O6/c1-39-10-11-41-16-4-2-15(3-5-16)21-19(14-37)36(25(38)42-21)20-12-18(32-24(33-20)35-6-8-40-9-7-35)17-13-31-23(30)34-22(17)26(27,28)29/h2-5,12-13,19,21,37H,6-11,14H2,1H3,(H2,30,31,34)/t19-,21-/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 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)

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


(Rattus norvegicus (Rat))
BDBM346182
PNG
(US10202371, Example 12)
Show SMILES COCCOc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1CO)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F
Show InChI InChI=1S/C26H28F3N7O6/c1-39-10-11-41-16-4-2-15(3-5-16)21-19(14-37)36(25(38)42-21)20-12-18(32-24(33-20)35-6-8-40-9-7-35)17-13-31-23(30)34-22(17)26(27,28)29/h2-5,12-13,19,21,37H,6-11,14H2,1H3,(H2,30,31,34)/t19-,21-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 64n/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