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BDBM119281 US8673906, 3.41::US9718800, 3.41

SMILES: CC(N(C)c1cc(F)cc(c1)C#C)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C

InChI Key: InChIKey=SMNGKIRNJURXLY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 119281   
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 beta isoform


(Homo sapiens (human))
BDBM119281
PNG
(US8673906, 3.41 | US9718800, 3.41)
Show SMILES CC(N(C)c1cc(F)cc(c1)C#C)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C27H28FN3O4/c1-6-18-11-20(28)15-21(12-18)30(5)17(2)22-13-19(27(33)29(3)4)14-23-24(32)16-25(35-26(22)23)31-7-9-34-10-8-31/h1,11-17H,7-10H2,2-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 14n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM119281
PNG
(US8673906, 3.41 | US9718800, 3.41)
Show SMILES CC(N(C)c1cc(F)cc(c1)C#C)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C27H28FN3O4/c1-6-18-11-20(28)15-21(12-18)30(5)17(2)22-13-19(27(33)29(3)4)14-23-24(32)16-25(35-26(22)23)31-7-9-34-10-8-31/h1,11-17H,7-10H2,2-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 14n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The inhibition of PI3Kβ, PI3Kα, PI3Kγ and PI3Kδ was evaluated in a Kinase Glo based enzyme activity assay using human recombinant...


US Patent US8673906 (2014)


BindingDB Entry DOI: 10.7270/Q2280682
More data for this
Ligand-Target Pair