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BDBM50449312 CHEMBL3125390

SMILES: NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1

InChI Key: InChIKey=PBQDTIVOGGGFGU-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 = 50449312   
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))
BDBM50449312
PNG
(CHEMBL3125390)
Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1
Show InChI InChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)
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Article
PubMed
n/an/a 8.14E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma after 15 mins


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50449312
PNG
(CHEMBL3125390)
Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1
Show InChI InChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)
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Article
PubMed
n/an/a 2.15E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha after 15 mins


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50449312
PNG
(CHEMBL3125390)
Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1
Show InChI InChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta after 15 mins


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50449312
PNG
(CHEMBL3125390)
Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1
Show InChI InChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)
PDB
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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50449312
PNG
(CHEMBL3125390)
Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1
Show InChI InChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)
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 178n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta after 15 mins


Bioorg Med Chem Lett 24: 1506-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.004
BindingDB Entry DOI: 10.7270/Q25H7HR2
More data for this
Ligand-Target Pair