BindingDB logo
myBDB logout

null

SMILES: COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1

InChI Key: InChIKey=ALLABKANEWPTJO-IBGZPJMESA-N

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 = 50502318   
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 alpha isoform


(Homo sapiens (Human))
BDBM50502318
PNG
(CHEMBL4542688)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O5S/c1-35-24-22(30-37(2,33)34)12-18(13-26-24)17-3-4-21-20(11-17)23(28-15-27-21)29-19-5-8-31(14-19)25(32)16-6-9-36-10-7-16/h3-4,11-13,15-16,19,30H,5-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50502318
PNG
(CHEMBL4542688)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O5S/c1-35-24-22(30-37(2,33)34)12-18(13-26-24)17-3-4-21-20(11-17)23(28-15-27-21)29-19-5-8-31(14-19)25(32)16-6-9-36-10-7-16/h3-4,11-13,15-16,19,30H,5-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50502318
PNG
(CHEMBL4542688)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O5S/c1-35-24-22(30-37(2,33)34)12-18(13-26-24)17-3-4-21-20(11-17)23(28-15-27-21)29-19-5-8-31(14-19)25(32)16-6-9-36-10-7-16/h3-4,11-13,15-16,19,30H,5-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50502318
PNG
(CHEMBL4542688)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O5S/c1-35-24-22(30-37(2,33)34)12-18(13-26-24)17-3-4-21-20(11-17)23(28-15-27-21)29-19-5-8-31(14-19)25(32)16-6-9-36-10-7-16/h3-4,11-13,15-16,19,30H,5-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescenc...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
More data for this
Ligand-Target Pair