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BDBM189837 US9670194, Ex. 56 (S)-2-(1-((6-amino-5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl)amino)-propyl)-5-chloro-3-cyclopropylquinazolin-4(3H)-one

SMILES: CC[C@H](Nc1ncnc(N)c1-c1nc(CC)no1)c1nc2cccc(Cl)c2c(=O)n1C1CC1

InChI Key: InChIKey=SBUOLWIFHXGUAY-ZDUSSCGKSA-N

Data: 1 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 1 hit for monomerid = 189837   
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
p110δ/p85α


(Homo sapiens (Human))
BDBM189837
PNG
(US9670194, Ex. 56 (S)-2-(1-((6-amino-5-(3-ethyl-1,...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(CC)no1)c1nc2cccc(Cl)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1S/C22H23ClN8O2/c1-3-13(27-19-17(18(24)25-10-26-19)21-29-15(4-2)30-33-21)20-28-14-7-5-6-12(23)16(14)22(32)31(20)11-8-9-11/h5-7,10-11,13H,3-4,8-9H2,1-2H3,(H3,24,25,26,27)/t13-/m0/s1
PDB

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UniProtKB/TrEMBL

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PC cid
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UniChem
US Patent
n/an/a 9n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110α/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as ...


US Patent US9670194 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0S1D
More data for this
Ligand-Target Pair