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BDBM348085 US9790228, Compound 4

SMILES: Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12

InChI Key: InChIKey=ZIECLTRGMPZTIR-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 = 348085   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM348085
PNG
(US9790228, Compound 4)
Show SMILES Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Show InChI InChI=1S/C28H21FN6O/c1-16-6-2-4-8-22(16)25-19(10-17-7-3-5-9-23(17)33-25)14-35-28-24(27(30)31-15-32-28)26(34-35)18-11-20(29)13-21(36)12-18/h2-13,15,36H,14H2,1H3,(H2,30,31,32)
PDB
MMDB

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PC sid
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n/an/a<100n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348085
PNG
(US9790228, Compound 4)
Show SMILES Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Show InChI InChI=1S/C28H21FN6O/c1-16-6-2-4-8-22(16)25-19(10-17-7-3-5-9-23(17)33-25)14-35-28-24(27(30)31-15-32-28)26(34-35)18-11-20(29)13-21(36)12-18/h2-13,15,36H,14H2,1H3,(H2,30,31,32)
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM348085
PNG
(US9790228, Compound 4)
Show SMILES Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Show InChI InChI=1S/C28H21FN6O/c1-16-6-2-4-8-22(16)25-19(10-17-7-3-5-9-23(17)33-25)14-35-28-24(27(30)31-15-32-28)26(34-35)18-11-20(29)13-21(36)12-18/h2-13,15,36H,14H2,1H3,(H2,30,31,32)
PDB

Reactome pathway

UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM348085
PNG
(US9790228, Compound 4)
Show SMILES Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc12
Show InChI InChI=1S/C28H21FN6O/c1-16-6-2-4-8-22(16)25-19(10-17-7-3-5-9-23(17)33-25)14-35-28-24(27(30)31-15-32-28)26(34-35)18-11-20(29)13-21(36)12-18/h2-13,15,36H,14H2,1H3,(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair