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BDBM50044286 CHEMBL3356901

SMILES: COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cncn3C)sc2c1

InChI Key: InChIKey=LWEIOXGOXUSRJQ-UHFFFAOYSA-N

Data: 2 KI

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 = 50044286   
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))
BDBM50044286
PNG
(CHEMBL3356901)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cncn3C)sc2c1
Show InChI InChI=1S/C20H20N6O2S/c1-26-12-22-10-15(26)5-6-23-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)11-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,23,24,25,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
22n/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))
BDBM50044286
PNG
(CHEMBL3356901)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cncn3C)sc2c1
Show InChI InChI=1S/C20H20N6O2S/c1-26-12-22-10-15(26)5-6-23-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)11-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,23,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
67n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (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