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SMILES: CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1

InChI Key: InChIKey=VDGUUKJODYFDFX-UHFFFAOYSA-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 = 50460228   
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))
BDBM50460228
PNG
(CHEMBL4227780)
Show SMILES CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1
Show InChI InChI=1S/C22H30N6O3S/c1-5-6-11-32(29,30)27-20-13-17(14-24-22(20)31-4)16-7-8-19-18(12-16)21(26-15-25-19)23-9-10-28(2)3/h7-8,12-15,27H,5-6,9-11H2,1-4H3,(H,23,25,26)
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PC sid
UniChem
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n/an/a 118n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length PI3K p120gamma expressed in baculovirus infected Sf21 insect cells by ELISA


Bioorg Med Chem 26: 1675-1685 (2018)


Article DOI: 10.1016/j.bmc.2018.02.015
BindingDB Entry DOI: 10.7270/Q2GF0X3Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50460228
PNG
(CHEMBL4227780)
Show SMILES CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1
Show InChI InChI=1S/C22H30N6O3S/c1-5-6-11-32(29,30)27-20-13-17(14-24-22(20)31-4)16-7-8-19-18(12-16)21(26-15-25-19)23-9-10-28(2)3/h7-8,12-15,27H,5-6,9-11H2,1-4H3,(H,23,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged full length PI3K p110alpha (unknown origin)/recombinant untagged full length p85alpha (unknown origi...


Bioorg Med Chem 26: 1675-1685 (2018)


Article DOI: 10.1016/j.bmc.2018.02.015
BindingDB Entry DOI: 10.7270/Q2GF0X3Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50460228
PNG
(CHEMBL4227780)
Show SMILES CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1
Show InChI InChI=1S/C22H30N6O3S/c1-5-6-11-32(29,30)27-20-13-17(14-24-22(20)31-4)16-7-8-19-18(12-16)21(26-15-25-19)23-9-10-28(2)3/h7-8,12-15,27H,5-6,9-11H2,1-4H3,(H,23,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 396n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length PI3Kbeta (unknown origin)/untagged recombinant full length p85alpha expressed in baculov...


Bioorg Med Chem 26: 1675-1685 (2018)


Article DOI: 10.1016/j.bmc.2018.02.015
BindingDB Entry DOI: 10.7270/Q2GF0X3Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50460228
PNG
(CHEMBL4227780)
Show SMILES CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1
Show InChI InChI=1S/C22H30N6O3S/c1-5-6-11-32(29,30)27-20-13-17(14-24-22(20)31-4)16-7-8-19-18(12-16)21(26-15-25-19)23-9-10-28(2)3/h7-8,12-15,27H,5-6,9-11H2,1-4H3,(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 102n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal full length human PI3K p110delta/recombinant untagged full length human p85alpha expressed in baculovirus infect...


Bioorg Med Chem 26: 1675-1685 (2018)


Article DOI: 10.1016/j.bmc.2018.02.015
BindingDB Entry DOI: 10.7270/Q2GF0X3Z
More data for this
Ligand-Target Pair