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BDBM50357663 CHEMBL1914722

SMILES: CC(C)N1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1

InChI Key: InChIKey=SHLRNAMEMGGTKI-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50357663   
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))
BDBM50357663
PNG
(CHEMBL1914722)
Show SMILES CC(C)N1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H27ClFN5O2S/c1-18(2)33-11-13-34(14-12-33)26-9-10-30-24-8-3-19(15-23(24)26)20-16-25(27(28)31-17-20)32-37(35,36)22-6-4-21(29)5-7-22/h3-10,15-18,32H,11-14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357663
PNG
(CHEMBL1914722)
Show SMILES CC(C)N1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H27ClFN5O2S/c1-18(2)33-11-13-34(14-12-33)26-9-10-30-24-8-3-19(15-23(24)26)20-16-25(27(28)31-17-20)32-37(35,36)22-6-4-21(29)5-7-22/h3-10,15-18,32H,11-14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair