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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 = 'BDBM50156302'   
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))
BDBM50156302
PNG
(CHEMBL3780029)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24)
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50156302
PNG
(CHEMBL3780029)
Show SMILES CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C18H19N7/c1-19-17-22-11-14(16(25-17)10-12-2-3-12)15-6-9-21-18(24-15)23-13-4-7-20-8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,19,22,25)(H,20,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay


ACS Med Chem Lett 7: 72-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00335
BindingDB Entry DOI: 10.7270/Q2K35WK6
More data for this
Ligand-Target Pair