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BDBM377044 US10259818, Example 26

SMILES: C[C@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12

InChI Key: InChIKey=SIHWKUJEGPQWPY-AWKYBWMHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 377044   
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))
BDBM377044
PNG
(US10259818, Example 26)
Show SMILES C[C@H](c1cc(Cl)c(F)c2CN(CC(C)Oc12)C1CN(C1)C(=O)OC(C)(C)C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H33ClFN7O3/c1-13-8-33(16-9-34(10-16)25(36)38-26(4,5)6)11-18-21(28)19(27)7-17(22(18)37-13)15(3)35-24-20(14(2)32-35)23(29)30-12-31-24/h7,12-13,15-16H,8-11H2,1-6H3,(H2,29,30,31)/t13?,15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
[γ-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q2Q242JB
More data for this
Ligand-Target Pair