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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 = 'BDBM346180'   
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))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/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)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM346180
PNG
(US10202371, Example 10)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccccc2)c(n1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O4/c24-23(25,26)19-14(11-28-20(27)31-19)15-10-17(30-21(29-15)32-6-8-36-9-7-32)33-16(12-34)18(37-22(33)35)13-4-2-1-3-5-13/h1-5,10-11,16,18,34H,6-9,12H2,(H2,27,28,31)/t16-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US10202371 (2019)


BindingDB Entry DOI: 10.7270/Q2KD2123
More data for this
Ligand-Target Pair