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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' and Ligand = 'BDBM127373'   
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


(Homo sapiens (Human))
BDBM127373
PNG
(US8791131, 131)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3[nH]c(=O)n([C@H]4CC[C@@H](CC4)OCCO)c3c2n1 |r,wU:19.19,wD:22.26,(-6.65,-.2,;-5.31,.57,;-3.98,-.2,;-3.98,-1.74,;-2.64,-2.51,;-1.31,-1.74,;-1.31,-.2,;-2.64,.57,;.02,-2.51,;.02,-4.05,;1.36,-4.82,;2.69,-4.05,;4.02,-4.82,;5.36,-4.05,;5.36,-2.51,;6.5,-1.48,;5.88,-.07,;6.65,1.26,;4.34,-.23,;3.26,.86,;1.77,.46,;.68,1.55,;1.08,3.04,;2.56,3.44,;3.65,2.35,;-.01,4.13,;-1.5,3.73,;-2.59,4.82,;-4.08,4.42,;4.02,-1.74,;2.69,-2.51,;1.36,-1.74,)|
Show InChI InChI=1S/C23H25N5O4/c1-31-20-9-2-14(12-25-20)17-7-8-18-21(26-17)22-19(13-24-18)27-23(30)28(22)15-3-5-16(6-4-15)32-11-10-29/h2,7-9,12-13,15-16,29H,3-6,10-11H2,1H3,(H,27,30)/t15-,16-
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
0.644 -52.5n/an/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...


US Patent US8791131 (2014)


BindingDB Entry DOI: 10.7270/Q23B5XV8
More data for this
Ligand-Target Pair