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BDBM50393338 CHEMBL2152130

SMILES: CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1

InChI Key: InChIKey=HTYABFBMEWNERT-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 = 50393338   
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))
BDBM50393338
PNG
(CHEMBL2152130)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16ClN5O3S/c1-21-18(25)16-17(20)22-10-14(23-16)11-7-8-13(19)15(9-11)28(26,27)24-12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,20,22)(H,21,25)
PDB
MMDB

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PC sid
UniChem
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PubMed
n/an/a 39n/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))
BDBM50393338
PNG
(CHEMBL2152130)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16ClN5O3S/c1-21-18(25)16-17(20)22-10-14(23-16)11-7-8-13(19)15(9-11)28(26,27)24-12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,20,22)(H,21,25)
PDB
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PC sid
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n/an/a 174n/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))
BDBM50393338
PNG
(CHEMBL2152130)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16ClN5O3S/c1-21-18(25)16-17(20)22-10-14(23-16)11-7-8-13(19)15(9-11)28(26,27)24-12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,20,22)(H,21,25)
PDB
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PC cid
PC sid
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Article
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n/an/a 69n/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))
BDBM50393338
PNG
(CHEMBL2152130)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16ClN5O3S/c1-21-18(25)16-17(20)22-10-14(23-16)11-7-8-13(19)15(9-11)28(26,27)24-12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,20,22)(H,21,25)
PDB
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PC sid
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Article
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n/an/a 352n/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))
BDBM50393338
PNG
(CHEMBL2152130)
Show SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H16ClN5O3S/c1-21-18(25)16-17(20)22-10-14(23-16)11-7-8-13(19)15(9-11)28(26,27)24-12-5-3-2-4-6-12/h2-10,24H,1H3,(H2,20,22)(H,21,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 578n/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