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BDBM189304 US9670194, Ex. 32 (S)-2-(1-((6-amino-5-(1-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl)amino)-propyl)-5-chloro-3-phenylquinazolin-4(3H)-one

SMILES: CC[C@H](Nc1ncnc(N)c1-c1ncn(C)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=GOIZRJDAHAOHMH-INIZCTEOSA-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 = 189304   
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))
BDBM189304
PNG
(US9670194, Ex. 32 (S)-2-(1-((6-amino-5-(1-methyl-1...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1ncn(C)n1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C24H22ClN9O/c1-3-16(30-21-19(20(26)27-12-28-21)22-29-13-33(2)32-22)23-31-17-11-7-10-15(25)18(17)24(35)34(23)14-8-5-4-6-9-14/h4-13,16H,3H2,1-2H3,(H3,26,27,28,30)/t16-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 70n/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