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BDBM272724 US10065963, Example 125

SMILES: CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(nc(C)n2c1-c1ccccc1)[N+]#[C-]

InChI Key: InChIKey=ZBIWHUVLSIFNBP-UHFFFAOYNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 272724   
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 gamma isoform


(Homo sapiens (Human))
BDBM272724
PNG
(US10065963, Example 125)
Show SMILES CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(nc(C)n2c1-c1ccccc1)[N+]#[C-]
Show InChI InChI=1/C24H19ClN8O/c1-13(29-24(34)18-21(26)31-32-11-7-10-28-23(18)32)16-12-17(25)20-22(27-3)30-14(2)33(20)19(16)15-8-5-4-6-9-15/h4-13H,1-2H3,(H2,26,31)(H,29,34)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/a6.725



Incyte Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinas...


US Patent US10065963 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2H41TFS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM272724
PNG
(US10065963, Example 125)
Show SMILES CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(nc(C)n2c1-c1ccccc1)[N+]#[C-]
Show InChI InChI=1/C24H19ClN8O/c1-13(29-24(34)18-21(26)31-32-11-7-10-28-23(18)32)16-12-17(25)20-22(27-3)30-14(2)33(20)19(16)15-8-5-4-6-9-15/h4-13H,1-2H3,(H2,26,31)(H,29,34)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<500n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
To measure the Phosphorylated Ribosomal Protein S6 (RPS6) in cell lysates, THP-1 cells (Human Acute Monocytic Leukemia) are purchased from ATCC (Mana...


US Patent US10065963 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2H41TFS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM272724
PNG
(US10065963, Example 125)
Show SMILES CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(nc(C)n2c1-c1ccccc1)[N+]#[C-]
Show InChI InChI=1/C24H19ClN8O/c1-13(29-24(34)18-21(26)31-32-11-7-10-28-23(18)32)16-12-17(25)20-22(27-3)30-14(2)33(20)19(16)15-8-5-4-6-9-15/h4-13H,1-2H3,(H2,26,31)(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<500n/an/an/an/a6.725



Incyte Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinas...


US Patent US10065963 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2H41TFS
More data for this
Ligand-Target Pair