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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase catalytic subunit type 3' and Ligand = 'BDBM338054'   
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))
BDBM338054
PNG
(US9751854, Compound I-229 | US9802960, Compound I-...)
Show SMILES CN(C)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(Nc2ccc(C#N)c(C)n2)c1
Show InChI InChI=1S/C20H21N7O2S/c1-13-16(11-21)5-6-19(24-13)25-20-10-15(7-8-22-20)17-9-18(14(2)23-12-17)26-30(28,29)27(3)4/h5-10,12,26H,1-4H3,(H,22,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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 US9802960 (2017)


BindingDB Entry DOI: 10.7270/Q2D79DJ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM338054
PNG
(US9751854, Compound I-229 | US9802960, Compound I-...)
Show SMILES CN(C)S(=O)(=O)Nc1cc(cnc1C)-c1ccnc(Nc2ccc(C#N)c(C)n2)c1
Show InChI InChI=1S/C20H21N7O2S/c1-13-16(11-21)5-6-19(24-13)25-20-10-15(7-8-22-20)17-9-18(14(2)23-12-17)26-30(28,29)27(3)4/h5-10,12,26H,1-4H3,(H,22,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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 US9751854 (2017)


BindingDB Entry DOI: 10.7270/Q2KS6TNJ
More data for this
Ligand-Target Pair