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BDBM50387535 CHEMBL2057361

SMILES: CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3ccccc3)nn2c1

InChI Key: InChIKey=WCZUQCRTCZORNK-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 = 50387535   
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))
BDBM50387535
PNG
(CHEMBL2057361)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3ccccc3)nn2c1
Show InChI InChI=1S/C24H27N7O3S/c1-24(2,3)30-35(33,34)20-13-19(14-25-15-20)18-9-10-21-27-22(29-31(21)16-18)28-23(32)26-12-11-17-7-5-4-6-8-17/h4-10,13-16,30H,11-12H2,1-3H3,(H2,26,28,29,32)
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PC cid
PC sid
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Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50387535
PNG
(CHEMBL2057361)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3ccccc3)nn2c1
Show InChI InChI=1S/C24H27N7O3S/c1-24(2,3)30-35(33,34)20-13-19(14-25-15-20)18-9-10-21-27-22(29-31(21)16-18)28-23(32)26-12-11-17-7-5-4-6-8-17/h4-10,13-16,30H,11-12H2,1-3H3,(H2,26,28,29,32)
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50387535
PNG
(CHEMBL2057361)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3ccccc3)nn2c1
Show InChI InChI=1S/C24H27N7O3S/c1-24(2,3)30-35(33,34)20-13-19(14-25-15-20)18-9-10-21-27-22(29-31(21)16-18)28-23(32)26-12-11-17-7-5-4-6-8-17/h4-10,13-16,30H,11-12H2,1-3H3,(H2,26,28,29,32)
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Article
PubMed
n/an/a>3.16E+3n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50387535
PNG
(CHEMBL2057361)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCc3ccccc3)nn2c1
Show InChI InChI=1S/C24H27N7O3S/c1-24(2,3)30-35(33,34)20-13-19(14-25-15-20)18-9-10-21-27-22(29-31(21)16-18)28-23(32)26-12-11-17-7-5-4-6-8-17/h4-10,13-16,30H,11-12H2,1-3H3,(H2,26,28,29,32)
PDB
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 25.1n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay


Bioorg Med Chem Lett 22: 4546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.121
BindingDB Entry DOI: 10.7270/Q2J38TMN
More data for this
Ligand-Target Pair