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BDBM272775 US10065963, Example 175

SMILES: CCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1N1CCS(=O)(=O)C(C)C1)[N+]#[C-]

InChI Key: InChIKey=TXCPAFJCAAMXJP-UHFFFAOYNA-N

Data: 3 IC50

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

Found 3 hits for monomerid = 272775   
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))
BDBM272775
PNG
(US10065963, Example 175)
Show SMILES CCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1N1CCS(=O)(=O)C(C)C1)[N+]#[C-]
Show InChI InChI=1/C23H24ClN9O3S/c1-4-16(29-22(34)17-19(25)30-33-7-5-6-27-21(17)33)14-10-15(24)18-20(26-3)28-12-32(18)23(14)31-8-9-37(35,36)13(2)11-31/h5-7,10,12-13,16H,4,8-9,11H2,1-2H3,(H2,25,30)(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
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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))
BDBM272775
PNG
(US10065963, Example 175)
Show SMILES CCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1N1CCS(=O)(=O)C(C)C1)[N+]#[C-]
Show InChI InChI=1/C23H24ClN9O3S/c1-4-16(29-22(34)17-19(25)30-33-7-5-6-27-21(17)33)14-10-15(24)18-20(26-3)28-12-32(18)23(14)31-8-9-37(35,36)13(2)11-31/h5-7,10,12-13,16H,4,8-9,11H2,1-2H3,(H2,25,30)(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/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))
BDBM272775
PNG
(US10065963, Example 175)
Show SMILES CCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(ncn2c1N1CCS(=O)(=O)C(C)C1)[N+]#[C-]
Show InChI InChI=1/C23H24ClN9O3S/c1-4-16(29-22(34)17-19(25)30-33-7-5-6-27-21(17)33)14-10-15(24)18-20(26-3)28-12-32(18)23(14)31-8-9-37(35,36)13(2)11-31/h5-7,10,12-13,16H,4,8-9,11H2,1-2H3,(H2,25,30)(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<2.00E+3n/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