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BDBM50387537 CHEMBL2057364

SMILES: CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3cccn3)nn2c1

InChI Key: InChIKey=KFYHKGHTVWFWKP-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 = 50387537   
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))
BDBM50387537
PNG
(CHEMBL2057364)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3cccn3)nn2c1
Show InChI InChI=1S/C21H25N9O3S/c1-21(2,3)28-34(32,33)17-11-16(12-22-13-17)15-5-6-18-25-19(27-30(18)14-15)26-20(31)23-8-10-29-9-4-7-24-29/h4-7,9,11-14,28H,8,10H2,1-3H3,(H2,23,26,27,31)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 25.1n/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 delta isoform


(Homo sapiens (Human))
BDBM50387537
PNG
(CHEMBL2057364)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3cccn3)nn2c1
Show InChI InChI=1S/C21H25N9O3S/c1-21(2,3)28-34(32,33)17-11-16(12-22-13-17)15-5-6-18-25-19(27-30(18)14-15)26-20(31)23-8-10-29-9-4-7-24-29/h4-7,9,11-14,28H,8,10H2,1-3H3,(H2,23,26,27,31)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50387537
PNG
(CHEMBL2057364)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3cccn3)nn2c1
Show InChI InChI=1S/C21H25N9O3S/c1-21(2,3)28-34(32,33)17-11-16(12-22-13-17)15-5-6-18-25-19(27-30(18)14-15)26-20(31)23-8-10-29-9-4-7-24-29/h4-7,9,11-14,28H,8,10H2,1-3H3,(H2,23,26,27,31)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 631n/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))
BDBM50387537
PNG
(CHEMBL2057364)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccc2nc(NC(=O)NCCn3cccn3)nn2c1
Show InChI InChI=1S/C21H25N9O3S/c1-21(2,3)28-34(32,33)17-11-16(12-22-13-17)15-5-6-18-25-19(27-30(18)14-15)26-20(31)23-8-10-29-9-4-7-24-29/h4-7,9,11-14,28H,8,10H2,1-3H3,(H2,23,26,27,31)
PDB
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Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 631n/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