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BDBM350434 US10208066, Compound 54::US10611777, Compound 54

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

InChI Key: InChIKey=LJECJJAGVWBQBT-JTQLQIEISA-N

Data: 6 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 6 hits for monomerid = 350434   
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))
BDBM350434
PNG
(US10208066, Compound 54 | US10611777, Compound 54)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C19H15ClN8O/c1-10(26-19-14(7-21)18(22)24-9-25-19)13-6-16-23-8-15(20)28(16)27-17(13)11-3-2-4-12(29)5-11/h2-6,8-10,29H,1H3,(H3,22,24,25,26)/t10-/m0/s1
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n/an/a 2n/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))
BDBM350434
PNG
(US10208066, Compound 54 | US10611777, Compound 54)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C19H15ClN8O/c1-10(26-19-14(7-21)18(22)24-9-25-19)13-6-16-23-8-15(20)28(16)27-17(13)11-3-2-4-12(29)5-11/h2-6,8-10,29H,1H3,(H3,22,24,25,26)/t10-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 226n/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))
BDBM350434
PNG
(US10208066, Compound 54 | US10611777, Compound 54)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C19H15ClN8O/c1-10(26-19-14(7-21)18(22)24-9-25-19)13-6-16-23-8-15(20)28(16)27-17(13)11-3-2-4-12(29)5-11/h2-6,8-10,29H,1H3,(H3,22,24,25,26)/t10-/m0/s1
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n/an/a 9n/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))
BDBM350434
PNG
(US10208066, Compound 54 | US10611777, Compound 54)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C19H15ClN8O/c1-10(26-19-14(7-21)18(22)24-9-25-19)13-6-16-23-8-15(20)28(16)27-17(13)11-3-2-4-12(29)5-11/h2-6,8-10,29H,1H3,(H3,22,24,25,26)/t10-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM350434
PNG
(US10208066, Compound 54 | US10611777, Compound 54)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C19H15ClN8O/c1-10(26-19-14(7-21)18(22)24-9-25-19)13-6-16-23-8-15(20)28(16)27-17(13)11-3-2-4-12(29)5-11/h2-6,8-10,29H,1H3,(H3,22,24,25,26)/t10-/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 226n/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))
BDBM350434
PNG
(US10208066, Compound 54 | US10611777, Compound 54)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C19H15ClN8O/c1-10(26-19-14(7-21)18(22)24-9-25-19)13-6-16-23-8-15(20)28(16)27-17(13)11-3-2-4-12(29)5-11/h2-6,8-10,29H,1H3,(H3,22,24,25,26)/t10-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 9n/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