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BDBM119301 US8673906, 4.2::US9718800, 4.20

SMILES: CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC[C@@H]1CO

InChI Key: InChIKey=NTCLMZDHZZNGLK-CAWMZFRYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 119301   
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))
BDBM119301
PNG
(US8673906, 4.2 | US9718800, 4.20)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC[C@@H]1CO
Show InChI InChI=1S/C27H29F2N3O5/c1-16(30-20-12-18(28)11-19(29)13-20)22-9-17(27(35)32-4-2-3-21(32)15-33)10-23-24(34)14-25(37-26(22)23)31-5-7-36-8-6-31/h9-14,16,21,30,33H,2-8,15H2,1H3/t16?,21-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 5n/an/an/an/an/an/a



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))
BDBM119301
PNG
(US8673906, 4.2 | US9718800, 4.20)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC[C@@H]1CO
Show InChI InChI=1S/C27H29F2N3O5/c1-16(30-20-12-18(28)11-19(29)13-20)22-9-17(27(35)32-4-2-3-21(32)15-33)10-23-24(34)14-25(37-26(22)23)31-5-7-36-8-6-31/h9-14,16,21,30,33H,2-8,15H2,1H3/t16?,21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5n/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