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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 = 'BDBM346176'   
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


(Homo sapiens (Human))
BDBM346176
PNG
(US10202371, Example 6)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccc(OC)c1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-5-4-6-15(11-14)37-2)39-24(36)35(18)19-12-17(31-23(32-19)34-7-9-38-10-8-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-6,11-13,18,20H,3,7-10H2,1-2H3,(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 79n/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))
BDBM346176
PNG
(US10202371, Example 6)
Show SMILES CC[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1cccc(OC)c1
Show InChI InChI=1S/C25H26F3N7O4/c1-3-18-20(14-5-4-6-15(11-14)37-2)39-24(36)35(18)19-12-17(31-23(32-19)34-7-9-38-10-8-34)16-13-30-22(29)33-21(16)25(26,27)28/h4-6,11-13,18,20H,3,7-10H2,1-2H3,(H2,29,30,33)/t18-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 144n/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