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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 = 'BDBM346173'   
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))
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
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
GoogleScholar
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)

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
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
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)

More data for this
Ligand-Target Pair