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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 delta isoform' and Ligand = 'BDBM346183'   
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 delta isoform


(Mus musculus (Mouse))
BDBM346183
PNG
(US10202371, Example 13)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCO)cc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<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 delta isoform


(Homo sapiens (Human))
BDBM346183
PNG
(US10202371, Example 13)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCO)cc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)21-16(12-30-22(29)33-21)17-11-19(32-23(31-17)34-5-8-39-9-6-34)35-18(13-37)20(41-24(35)38)14-1-3-15(4-2-14)40-10-7-36/h1-4,11-12,18,20,36-37H,5-10,13H2,(H2,29,30,33)/t18-,20-/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 3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)

More data for this
Ligand-Target Pair