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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial' and Ligand = 'BDBM346184'   
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 alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM346184
PNG
(US10202371, Example 14)
Show SMILES Nc1ncc(-c2cc(nc(n2)N2CCOCC2)N2[C@@H](CO)[C@@H](OC2=O)c2ccc(OCCCO)cc2)c(n1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N7O6/c27-26(28,29)22-17(13-31-23(30)34-22)18-12-20(33-24(32-18)35-6-10-40-11-7-35)36-19(14-38)21(42-25(36)39)15-2-4-16(5-3-15)41-9-1-8-37/h2-5,12-13,19,21,37-38H,1,6-11,14H2,(H2,30,31,34)/t19-,21-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10202371 (2019)

More data for this
Ligand-Target Pair