BindingDB logo
myBDB logout

BDBM50392465 CHEMBL2151934

SMILES: COc1cc(NC(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)ccc1F

InChI Key: InChIKey=BOTZGFPBBZKZFQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50392465   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50392465
PNG
(CHEMBL2151934)
Show SMILES COc1cc(NC(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)ccc1F
Show InChI InChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 115n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50392465
PNG
(CHEMBL2151934)
Show SMILES COc1cc(NC(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)ccc1F
Show InChI InChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50392465
PNG
(CHEMBL2151934)
Show SMILES COc1cc(NC(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)ccc1F
Show InChI InChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50392465
PNG
(CHEMBL2151934)
Show SMILES COc1cc(NC(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)ccc1F
Show InChI InChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50392465
PNG
(CHEMBL2151934)
Show SMILES COc1cc(NC(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)ccc1F
Show InChI InChI=1S/C18H21FN4O4/c1-22-15(21-16(11-18(22)25)23-5-7-27-8-6-23)10-17(24)20-12-3-4-13(19)14(9-12)26-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair