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BDBM50393346 CHEMBL2152137

SMILES: CNC(=O)c1nc(cnc1N)-c1cccc(NS(=O)(=O)c2ccccc2)c1

InChI Key: InChIKey=QXWFZVFZPWJEKQ-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 = 50393346   
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))
BDBM50393346
PNG
(CHEMBL2152137)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17N5O3S/c1-20-18(24)16-17(19)21-11-15(22-16)12-6-5-7-13(10-12)23-27(25,26)14-8-3-2-4-9-14/h2-11,23H,1H3,(H2,19,21)(H,20,24)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 167n/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 delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50393346
PNG
(CHEMBL2152137)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17N5O3S/c1-20-18(24)16-17(19)21-11-15(22-16)12-6-5-7-13(10-12)23-27(25,26)14-8-3-2-4-9-14/h2-11,23H,1H3,(H2,19,21)(H,20,24)
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UniChem
Article
PubMed
n/an/a 3.39E+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))
BDBM50393346
PNG
(CHEMBL2152137)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17N5O3S/c1-20-18(24)16-17(19)21-11-15(22-16)12-6-5-7-13(10-12)23-27(25,26)14-8-3-2-4-9-14/h2-11,23H,1H3,(H2,19,21)(H,20,24)
PDB
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PC sid
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Article
PubMed
n/an/a>1.00E+4n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50393346
PNG
(CHEMBL2152137)
Show SMILES CNC(=O)c1nc(cnc1N)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H17N5O3S/c1-20-18(24)16-17(19)21-11-15(22-16)12-6-5-7-13(10-12)23-27(25,26)14-8-3-2-4-9-14/h2-11,23H,1H3,(H2,19,21)(H,20,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.64E+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