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BDBM50349626 CHEMBL1808984

SMILES: CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(OC3COC3)nc(n2)N2CCOCC2)cc1

InChI Key: InChIKey=GWUBKHKZPMKGGQ-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50349626   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50349626
PNG
(CHEMBL1808984)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(OC3COC3)nc(n2)N2CCOCC2)cc1
Show InChI InChI=1S/C29H34N8O5/c1-35-10-12-36(13-11-35)26(38)21-4-8-23(9-5-21)31-28(39)30-22-6-2-20(3-7-22)25-32-27(37-14-16-40-17-15-37)34-29(33-25)42-24-18-41-19-24/h2-9,24H,10-19H2,1H3,(H2,30,31,39)
PDB
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4773-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.063
BindingDB Entry DOI: 10.7270/Q20C4W4G
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50349626
PNG
(CHEMBL1808984)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(OC3COC3)nc(n2)N2CCOCC2)cc1
Show InChI InChI=1S/C29H34N8O5/c1-35-10-12-36(13-11-35)26(38)21-4-8-23(9-5-21)31-28(39)30-22-6-2-20(3-7-22)25-32-27(37-14-16-40-17-15-37)34-29(33-25)42-24-18-41-19-24/h2-9,24H,10-19H2,1H3,(H2,30,31,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 21: 4773-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.063
BindingDB Entry DOI: 10.7270/Q20C4W4G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50349626
PNG
(CHEMBL1808984)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(OC3COC3)nc(n2)N2CCOCC2)cc1
Show InChI InChI=1S/C29H34N8O5/c1-35-10-12-36(13-11-35)26(38)21-4-8-23(9-5-21)31-28(39)30-22-6-2-20(3-7-22)25-32-27(37-14-16-40-17-15-37)34-29(33-25)42-24-18-41-19-24/h2-9,24H,10-19H2,1H3,(H2,30,31,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4773-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.063
BindingDB Entry DOI: 10.7270/Q20C4W4G
More data for this
Ligand-Target Pair