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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 = 'BDBM338227'   
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))
BDBM338227
PNG
(US9751854, Compound I-411 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C#N)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C19H13F2N5O3S/c1-11(27)25-19-7-12(4-5-23-19)13-6-16(17(9-22)24-10-13)26-30(28,29)18-3-2-14(20)8-15(18)21/h2-8,10,26H,1H3,(H,23,25,27)
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))
BDBM338227
PNG
(US9751854, Compound I-411 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C#N)c(NS(=O)(=O)c2ccc(F)cc2F)c1
Show InChI InChI=1S/C19H13F2N5O3S/c1-11(27)25-19-7-12(4-5-23-19)13-6-16(17(9-22)24-10-13)26-30(28,29)18-3-2-14(20)8-15(18)21/h2-8,10,26H,1H3,(H,23,25,27)
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