new BindingDB logo
myBDB logout

BDBM50401471 CHEMBL243810

SMILES: O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1

InChI Key: InChIKey=UCEVYDVOUKTNMU-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 = 50401471   
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
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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 950n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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 4.07E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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 3.36E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50401471
PNG
(CHEMBL243810)
Show SMILES O=c1nc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C18H16N2O3/c21-17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)23-18(19-17)20-9-11-22-12-10-20/h1-8H,9-12H2
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 1.50E+3n/an/an/an/an/an/a



La Trobe University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma by HTRF assay in presence of ATP


Eur J Med Chem 57: 85-101 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.035
BindingDB Entry DOI: 10.7270/Q2XS5WK6
More data for this
Ligand-Target Pair