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SMILES: C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O

InChI Key: InChIKey=SUIQWWVKWMJPIF-NSHDSACASA-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 6 hits for monomerid = 350427   
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 delta isoform


(Homo sapiens (Human))
BDBM350427
PNG
(US10208066, Compound 46 | US10611777, Compound 46)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H17ClN8O2S/c1-11(27-20-15(8-22)19(23)25-10-26-20)14-7-17-24-9-16(21)29(17)28-18(14)12-4-3-5-13(6-12)32(2,30)31/h3-7,9-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1
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PC sid
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n/an/a 4n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...


US Patent US10208066 (2019)


BindingDB Entry DOI: 10.7270/Q2319Z0W
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM350427
PNG
(US10208066, Compound 46 | US10611777, Compound 46)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H17ClN8O2S/c1-11(27-20-15(8-22)19(23)25-10-26-20)14-7-17-24-9-16(21)29(17)28-18(14)12-4-3-5-13(6-12)32(2,30)31/h3-7,9-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1
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PC sid
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n/an/a 50n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...


US Patent US10208066 (2019)


BindingDB Entry DOI: 10.7270/Q2319Z0W
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM350427
PNG
(US10208066, Compound 46 | US10611777, Compound 46)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H17ClN8O2S/c1-11(27-20-15(8-22)19(23)25-10-26-20)14-7-17-24-9-16(21)29(17)28-18(14)12-4-3-5-13(6-12)32(2,30)31/h3-7,9-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...


US Patent US10611777 (2020)

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


(Homo sapiens (Human))
BDBM350427
PNG
(US10208066, Compound 46 | US10611777, Compound 46)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H17ClN8O2S/c1-11(27-20-15(8-22)19(23)25-10-26-20)14-7-17-24-9-16(21)29(17)28-18(14)12-4-3-5-13(6-12)32(2,30)31/h3-7,9-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...


US Patent US10611777 (2020)

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


(Homo sapiens (Human))
BDBM350427
PNG
(US10208066, Compound 46 | US10611777, Compound 46)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H17ClN8O2S/c1-11(27-20-15(8-22)19(23)25-10-26-20)14-7-17-24-9-16(21)29(17)28-18(14)12-4-3-5-13(6-12)32(2,30)31/h3-7,9-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1
PDB
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PC sid
UniChem
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n/an/a 50n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...


US Patent US10611777 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM350427
PNG
(US10208066, Compound 46 | US10611777, Compound 46)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H17ClN8O2S/c1-11(27-20-15(8-22)19(23)25-10-26-20)14-7-17-24-9-16(21)29(17)28-18(14)12-4-3-5-13(6-12)32(2,30)31/h3-7,9-11H,1-2H3,(H3,23,25,26,27)/t11-/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.32E+3n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...


US Patent US10208066 (2019)


BindingDB Entry DOI: 10.7270/Q2319Z0W
More data for this
Ligand-Target Pair