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SMILES: C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=XLPQUBPSCCBYDH-LBPRGKRZSA-N

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 4 hits for monomerid = 189846   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM189846
PNG
(US9670194, Ex. 65 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C23H19ClN8O2/c1-12(28-20-18(19(25)26-11-27-20)22-29-13(2)31-34-22)21-30-16-10-6-9-15(24)17(16)23(33)32(21)14-7-4-3-5-8-14/h3-12H,1-2H3,(H3,25,26,27,28)/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.01E+3n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM189846
PNG
(US9670194, Ex. 65 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C23H19ClN8O2/c1-12(28-20-18(19(25)26-11-27-20)22-29-13(2)31-34-22)21-30-16-10-6-9-15(24)17(16)23(33)32(21)14-7-4-3-5-8-14/h3-12H,1-2H3,(H3,25,26,27,28)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta/delta isoform


(Homo sapiens (Human))
BDBM189846
PNG
(US9670194, Ex. 65 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C23H19ClN8O2/c1-12(28-20-18(19(25)26-11-27-20)22-29-13(2)31-34-22)21-30-16-10-6-9-15(24)17(16)23(33)32(21)14-7-4-3-5-8-14/h3-12H,1-2H3,(H3,25,26,27,28)/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM189846
PNG
(US9670194, Ex. 65 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C23H19ClN8O2/c1-12(28-20-18(19(25)26-11-27-20)22-29-13(2)31-34-22)21-30-16-10-6-9-15(24)17(16)23(33)32(21)14-7-4-3-5-8-14/h3-12H,1-2H3,(H3,25,26,27,28)/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 154n/an/an/an/an/a25



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

US Patent


Assay Description
PI3K (p110β/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