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BDBM119257 US8673906, 3.17::US8673906, 8.01::US9718800, 8.01

SMILES: CC(Nc1cc(F)cc(c1)C#N)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C

InChI Key: InChIKey=RDSDLAQKHLPMFA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 119257   
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))
BDBM119257
PNG
(US8673906, 3.17 | US8673906, 8.01 | US9718800, 8.0...)
Show SMILES CC(Nc1cc(F)cc(c1)C#N)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C25H25FN4O4/c1-15(28-19-9-16(14-27)8-18(26)12-19)20-10-17(25(32)29(2)3)11-21-22(31)13-23(34-24(20)21)30-4-6-33-7-5-30/h8-13,15,28H,4-7H2,1-3H3
PDB
MMDB

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Similars

n/an/a 6n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM119257
PNG
(US8673906, 3.17 | US8673906, 8.01 | US9718800, 8.0...)
Show SMILES CC(Nc1cc(F)cc(c1)C#N)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C25H25FN4O4/c1-15(28-19-9-16(14-27)8-18(26)12-19)20-10-17(25(32)29(2)3)11-21-22(31)13-23(34-24(20)21)30-4-6-33-7-5-30/h8-13,15,28H,4-7H2,1-3H3
PDB
MMDB

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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))
BDBM119257
PNG
(US8673906, 3.17 | US8673906, 8.01 | US9718800, 8.0...)
Show SMILES CC(Nc1cc(F)cc(c1)C#N)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C25H25FN4O4/c1-15(28-19-9-16(14-27)8-18(26)12-19)20-10-17(25(32)29(2)3)11-21-22(31)13-23(34-24(20)21)30-4-6-33-7-5-30/h8-13,15,28H,4-7H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 6n/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))
BDBM119257
PNG
(US8673906, 3.17 | US8673906, 8.01 | US9718800, 8.0...)
Show SMILES CC(Nc1cc(F)cc(c1)C#N)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C25H25FN4O4/c1-15(28-19-9-16(14-27)8-18(26)12-19)20-10-17(25(32)29(2)3)11-21-22(31)13-23(34-24(20)21)30-4-6-33-7-5-30/h8-13,15,28H,4-7H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

B.MOAD
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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
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