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BDBM50393361 CHEMBL2152251

SMILES: CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(F)c1F

InChI Key: InChIKey=FIMDHTYPJGAISK-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 = 50393361   
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))
BDBM50393361
PNG
(CHEMBL2152251)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C18H15F2N5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-4-2-5-11(8-10)29(27,28)25-13-7-3-6-12(19)15(13)20/h2-9,25H,1H3,(H2,21,23)(H,22,26)
PDB
MMDB

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PC sid
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PubMed
n/an/a 102n/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)


Article DOI: 10.1021/jm300403a
BindingDB Entry DOI: 10.7270/Q2DF6S9N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50393361
PNG
(CHEMBL2152251)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C18H15F2N5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-4-2-5-11(8-10)29(27,28)25-13-7-3-6-12(19)15(13)20/h2-9,25H,1H3,(H2,21,23)(H,22,26)
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n/an/a 2.37E+3n/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)


Article DOI: 10.1021/jm300403a
BindingDB Entry DOI: 10.7270/Q2DF6S9N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50393361
PNG
(CHEMBL2152251)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C18H15F2N5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-4-2-5-11(8-10)29(27,28)25-13-7-3-6-12(19)15(13)20/h2-9,25H,1H3,(H2,21,23)(H,22,26)
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n/an/a 1.88E+3n/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)


Article DOI: 10.1021/jm300403a
BindingDB Entry DOI: 10.7270/Q2DF6S9N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50393361
PNG
(CHEMBL2152251)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C18H15F2N5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-4-2-5-11(8-10)29(27,28)25-13-7-3-6-12(19)15(13)20/h2-9,25H,1H3,(H2,21,23)(H,22,26)
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n/an/a 2.45E+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)


Article DOI: 10.1021/jm300403a
BindingDB Entry DOI: 10.7270/Q2DF6S9N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50393361
PNG
(CHEMBL2152251)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C18H15F2N5O3S/c1-22-18(26)16-17(21)23-9-14(24-16)10-4-2-5-11(8-10)29(27,28)25-13-7-3-6-12(19)15(13)20/h2-9,25H,1H3,(H2,21,23)(H,22,26)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.02E+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)


Article DOI: 10.1021/jm300403a
BindingDB Entry DOI: 10.7270/Q2DF6S9N
More data for this
Ligand-Target Pair