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BDBM259461 US9512114, 26

SMILES: C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1

InChI Key: InChIKey=OPALHWIKIQGKID-ZDUSSCGKSA-N

Data: 4 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 4 hits for monomerid = 259461   
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))
BDBM259461
PNG
(US9512114, 26)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1S/C25H25N9O2/c1-13(30-23-21(22(26)27-12-28-23)24-31-14(2)32-36-24)19-9-15-5-4-6-18(16-10-29-33(3)11-16)20(15)25(35)34(19)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H3,26,27,28,30)/t13-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 132n/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 US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
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))
BDBM259461
PNG
(US9512114, 26)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1S/C25H25N9O2/c1-13(30-23-21(22(26)27-12-28-23)24-31-14(2)32-36-24)19-9-15-5-4-6-18(16-10-29-33(3)11-16)20(15)25(35)34(19)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H3,26,27,28,30)/t13-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 176n/an/an/an/an/a25



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

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM259461
PNG
(US9512114, 26)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1S/C25H25N9O2/c1-13(30-23-21(22(26)27-12-28-23)24-31-14(2)32-36-24)19-9-15-5-4-6-18(16-10-29-33(3)11-16)20(15)25(35)34(19)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H3,26,27,28,30)/t13-/m0/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 65n/an/an/an/an/a25



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

US Patent


Assay Description
PI3K (p120γ) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as required)...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM259461
PNG
(US9512114, 26)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1S/C25H25N9O2/c1-13(30-23-21(22(26)27-12-28-23)24-31-14(2)32-36-24)19-9-15-5-4-6-18(16-10-29-33(3)11-16)20(15)25(35)34(19)17-7-8-17/h4-6,9-13,17H,7-8H2,1-3H3,(H3,26,27,28,30)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/a25



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

US Patent


Assay Description
PI3K (p110δ/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair