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BDBM50234147 CHEMBL4092724

SMILES: Cn1nc(nc1CC1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12

InChI Key: InChIKey=CQFAQAKMXBWXNT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50234147   
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
p110α/p85α


(Homo sapiens (Human))
BDBM50234147
PNG
(CHEMBL4092724)
Show SMILES Cn1nc(nc1CC1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C19H21N9O/c1-27-16(10-12-6-8-29-9-7-12)23-18(25-27)14-11-21-17(20)19(22-14)28-15-5-3-2-4-13(15)24-26-28/h2-5,11-12H,6-10H2,1H3,(H2,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...


Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50234147
PNG
(CHEMBL4092724)
Show SMILES Cn1nc(nc1CC1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C19H21N9O/c1-27-16(10-12-6-8-29-9-7-12)23-18(25-27)14-11-21-17(20)19(22-14)28-15-5-3-2-4-13(15)24-26-28/h2-5,11-12H,6-10H2,1H3,(H2,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...


Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50234147
PNG
(CHEMBL4092724)
Show SMILES Cn1nc(nc1CC1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C19H21N9O/c1-27-16(10-12-6-8-29-9-7-12)23-18(25-27)14-11-21-17(20)19(22-14)28-15-5-3-2-4-13(15)24-26-28/h2-5,11-12H,6-10H2,1H3,(H2,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr...


Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50234147
PNG
(CHEMBL4092724)
Show SMILES Cn1nc(nc1CC1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C19H21N9O/c1-27-16(10-12-6-8-29-9-7-12)23-18(25-27)14-11-21-17(20)19(22-14)28-15-5-3-2-4-13(15)24-26-28/h2-5,11-12H,6-10H2,1H3,(H2,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...


Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair