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BDBM50393363 CHEMBL2152255

SMILES: Nc1ncc(cn1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F

InChI Key: InChIKey=AFVKBPLUPVLQSJ-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 = 50393363   
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))
BDBM50393363
PNG
(CHEMBL2152255)
Show SMILES Nc1ncc(cn1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C16H11ClF2N4O2S/c17-11-5-4-9(10-7-21-16(20)22-8-10)6-14(11)26(24,25)23-13-3-1-2-12(18)15(13)19/h1-8,23H,(H2,20,21,22)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/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))
BDBM50393363
PNG
(CHEMBL2152255)
Show SMILES Nc1ncc(cn1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C16H11ClF2N4O2S/c17-11-5-4-9(10-7-21-16(20)22-8-10)6-14(11)26(24,25)23-13-3-1-2-12(18)15(13)19/h1-8,23H,(H2,20,21,22)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.32E+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))
BDBM50393363
PNG
(CHEMBL2152255)
Show SMILES Nc1ncc(cn1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C16H11ClF2N4O2S/c17-11-5-4-9(10-7-21-16(20)22-8-10)6-14(11)26(24,25)23-13-3-1-2-12(18)15(13)19/h1-8,23H,(H2,20,21,22)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.64E+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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50393363
PNG
(CHEMBL2152255)
Show SMILES Nc1ncc(cn1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Show InChI InChI=1S/C16H11ClF2N4O2S/c17-11-5-4-9(10-7-21-16(20)22-8-10)6-14(11)26(24,25)23-13-3-1-2-12(18)15(13)19/h1-8,23H,(H2,20,21,22)
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 1.66E+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