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SMILES: CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=FCZPRTKZSWCDJU-SFHVURJKSA-N

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 8 hits for monomerid = 259446   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
PDB

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n/an/a>3.00E+3n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110α/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as ...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 259n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
PDB
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n/an/a 6n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
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n/an/a 388n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9657007 (2017)


BindingDB Entry DOI: 10.7270/Q2J10574
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9657007 (2017)


BindingDB Entry DOI: 10.7270/Q2J10574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
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n/an/a 259n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent




US Patent US9657007 (2017)


BindingDB Entry DOI: 10.7270/Q2J10574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
PDB
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n/an/a 6n/an/an/an/an/an/a



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white 384 ...


US Patent US9657007 (2017)


BindingDB Entry DOI: 10.7270/Q2J10574
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM259446
PNG
(US9512114, 5 | US9657007, Example 5)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClN7O2/c1-3-18(30-23-21(22(27)28-13-29-23)24-32-31-14(2)35-24)19-12-15-8-7-11-17(26)20(15)25(34)33(19)16-9-5-4-6-10-16/h4-13,18H,3H2,1-2H3,(H3,27,28,29,30)/t18-/m0/s1
PDB
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UniChem
US Patent
n/an/a 388n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p120γ) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as required)...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair