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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase catalytic subunit type 3' and Ligand = 'BDBM346217'   
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 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM346217
PNG
(US10202373, Compound I-31 | US10202373, Example 6)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cncc2n(c(C)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H18N4O3S/c1-14-10-18-19(16-8-9-23-21(11-16)24-15(2)26)12-22-13-20(18)25(14)29(27,28)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24,26)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...


US Patent US10202373 (2019)

More data for this
Ligand-Target Pair