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BDBM50347085 CHEMBL1796271

SMILES: CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl

InChI Key: InChIKey=GMPBOYJSGBEFIG-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50347085   
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 alpha isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
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16n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha assessed as inhibition of PIP3 formation by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4054-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.124
BindingDB Entry DOI: 10.7270/Q29G5N57
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
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16n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
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272n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
PDB
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha assessed as inhibition of PIP3 formation by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4054-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.124
BindingDB Entry DOI: 10.7270/Q29G5N57
More data for this
Ligand-Target Pair