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BDBM50393352 CHEMBL2152143

SMILES: CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=PZDOIZMKZOTHRF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50393352   
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
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50393352
PNG
(CHEMBL2152143)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O3S/c1-25-18(29)16-17(24)26-9-14(27-16)10-5-6-13(20)15(7-10)32(30,31)28-12-4-2-3-11(8-12)19(21,22)23/h2-9,28H,1H3,(H2,24,26)(H,25,29)
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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay


J Med Chem 55: 5467-82 (2012)

More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50393352
PNG
(CHEMBL2152143)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O3S/c1-25-18(29)16-17(24)26-9-14(27-16)10-5-6-13(20)15(7-10)32(30,31)28-12-4-2-3-11(8-12)19(21,22)23/h2-9,28H,1H3,(H2,24,26)(H,25,29)
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n/an/a 727n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescen...


J Med Chem 55: 5467-82 (2012)

More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50393352
PNG
(CHEMBL2152143)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O3S/c1-25-18(29)16-17(24)26-9-14(27-16)10-5-6-13(20)15(7-10)32(30,31)28-12-4-2-3-11(8-12)19(21,22)23/h2-9,28H,1H3,(H2,24,26)(H,25,29)
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Article
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n/an/a 552n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in C5a-stimulated mouse RAW 264.7 cells assessed as inhibition of AKT phosphorylation by ELISA


J Med Chem 55: 5467-82 (2012)

More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50393352
PNG
(CHEMBL2152143)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O3S/c1-25-18(29)16-17(24)26-9-14(27-16)10-5-6-13(20)15(7-10)32(30,31)28-12-4-2-3-11(8-12)19(21,22)23/h2-9,28H,1H3,(H2,24,26)(H,25,29)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescen...


J Med Chem 55: 5467-82 (2012)

More data for this
Ligand-Target Pair
PI3-kinase subunit beta


(Homo sapiens (human))
BDBM50393352
PNG
(CHEMBL2152143)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15ClF3N5O3S/c1-25-18(29)16-17(24)26-9-14(27-16)10-5-6-13(20)15(7-10)32(30,31)28-12-4-2-3-11(8-12)19(21,22)23/h2-9,28H,1H3,(H2,24,26)(H,25,29)
PDB
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Article
PubMed
n/an/a 5.07E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescenc...


J Med Chem 55: 5467-82 (2012)

More data for this
Ligand-Target Pair