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BDBM50439713 CHEMBL2418943

SMILES: COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)sc2c1

InChI Key: InChIKey=FFIJKEOXPCFSSY-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50439713   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50439713
PNG
(CHEMBL2418943)
Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C15H14N4O2S/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50439713
PNG
(CHEMBL2418943)
Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C15H14N4O2S/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis


Bioorg Med Chem Lett 23: 4652-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.010
BindingDB Entry DOI: 10.7270/Q2NP25T0
More data for this
Ligand-Target Pair