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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 = 'BDBM337982'   
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))
BDBM337982
PNG
(US9751854, Compound I-158 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc2[nH]cc(c2c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C18H19N5O3S/c1-12(24)22-17-9-13(4-5-19-17)14-8-15-16(11-21-18(15)20-10-14)27(25,26)23-6-2-3-7-23/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,21)(H,19,22,24)
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MMDB

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PC cid
PC sid
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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))
BDBM337982
PNG
(US9751854, Compound I-158 | US9802960, Compound I-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc2[nH]cc(c2c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C18H19N5O3S/c1-12(24)22-17-9-13(4-5-19-17)14-8-15-16(11-21-18(15)20-10-14)27(25,26)23-6-2-3-7-23/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,21)(H,19,22,24)
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