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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 = 'BDBM346171'   
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))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r|
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/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 3n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Mus musculus (Mouse))
BDBM346171
PNG
((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r|
Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.3n/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)


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