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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 = 'BDBM358623'   
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))
BDBM358623
PNG
((R)-4-(3-(4-amino-5-(1-(2,2,2- trifluoroethyl)-1H-...)
Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C24H24F3N7O2/c1-14-11-36-23(2,3)22(35)33(14)16-6-4-5-15(9-16)19-10-17(20-21(28)29-13-31-34(19)20)18-7-8-30-32(18)12-24(25,26)27/h4-10,13-14H,11-12H2,1-3H3,(H2,28,29,31)/t14-/m1/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 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


BindingDB Entry DOI: 10.7270/Q2HH6NB2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM358623
PNG
((R)-4-(3-(4-amino-5-(1-(2,2,2- trifluoroethyl)-1H-...)
Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12 |r|
Show InChI InChI=1S/C24H24F3N7O2/c1-14-11-36-23(2,3)22(35)33(14)16-6-4-5-15(9-16)19-10-17(20-21(28)29-13-31-34(19)20)18-7-8-30-32(18)12-24(25,26)27/h4-10,13-14H,11-12H2,1-3H3,(H2,28,29,31)/t14-/m1/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 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


BindingDB Entry DOI: 10.7270/Q2HH6NB2
More data for this
Ligand-Target Pair