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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 = 'BDBM338115'   
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))
BDBM338115
PNG
(US9751854, Compound I-291 | US9802960, Compound I-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)n1
Show InChI InChI=1S/C22H18F2N6O2S/c1-13-19(30-33(31,32)20-4-3-17(23)11-18(20)24)9-16(12-27-13)15-5-7-26-22(10-15)29-21-6-8-25-14(2)28-21/h3-12,30H,1-2H3,(H,25,26,28,29)
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))
BDBM338115
PNG
(US9751854, Compound I-291 | US9802960, Compound I-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cnc(C)c(NS(=O)(=O)c3ccc(F)cc3F)c2)n1
Show InChI InChI=1S/C22H18F2N6O2S/c1-13-19(30-33(31,32)20-4-3-17(23)11-18(20)24)9-16(12-27-13)15-5-7-26-22(10-15)29-21-6-8-25-14(2)28-21/h3-12,30H,1-2H3,(H,25,26,28,29)
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