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BDBM50401450 CHEMBL2204552

SMILES: Nc1ccc(c(F)c1)-c1cccc2c1oc(nc2=O)N1CCOCC1

InChI Key: InChIKey=UNKSAIJHKLOVQP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50401450   
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))
BDBM50401450
PNG
(CHEMBL2204552)
Show SMILES Nc1ccc(c(F)c1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16FN3O3/c19-15-10-11(20)4-5-12(15)13-2-1-3-14-16(13)25-18(21-17(14)23)22-6-8-24-9-7-22/h1-5,10H,6-9,20H2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.78E+4n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50401450
PNG
(CHEMBL2204552)
Show SMILES Nc1ccc(c(F)c1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16FN3O3/c19-15-10-11(20)4-5-12(15)13-2-1-3-14-16(13)25-18(21-17(14)23)22-6-8-24-9-7-22/h1-5,10H,6-9,20H2
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 3.41E+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))
BDBM50401450
PNG
(CHEMBL2204552)
Show SMILES Nc1ccc(c(F)c1)-c1cccc2c1oc(nc2=O)N1CCOCC1
Show InChI InChI=1S/C18H16FN3O3/c19-15-10-11(20)4-5-12(15)13-2-1-3-14-16(13)25-18(21-17(14)23)22-6-8-24-9-7-22/h1-5,10H,6-9,20H2
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 540n/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