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BDBM259462 US9512114, 27

SMILES: C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=UVUQWOFIDFGZPF-INIZCTEOSA-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 = 259462   
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))
BDBM259462
PNG
(US9512114, 27)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H25N9O2/c1-16(33-26-24(25(29)30-15-31-26)27-35-34-17(2)39-27)22-12-18-8-7-11-21(19-13-32-36(3)14-19)23(18)28(38)37(22)20-9-5-4-6-10-20/h4-16H,1-3H3,(H3,29,30,31,33)/t16-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+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 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))
BDBM259462
PNG
(US9512114, 27)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H25N9O2/c1-16(33-26-24(25(29)30-15-31-26)27-35-34-17(2)39-27)22-12-18-8-7-11-21(19-13-32-36(3)14-19)23(18)28(38)37(22)20-9-5-4-6-10-20/h4-16H,1-3H3,(H3,29,30,31,33)/t16-/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 237n/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))
BDBM259462
PNG
(US9512114, 27)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H25N9O2/c1-16(33-26-24(25(29)30-15-31-26)27-35-34-17(2)39-27)22-12-18-8-7-11-21(19-13-32-36(3)14-19)23(18)28(38)37(22)20-9-5-4-6-10-20/h4-16H,1-3H3,(H3,29,30,31,33)/t16-/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 17n/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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM259462
PNG
(US9512114, 27)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C28H25N9O2/c1-16(33-26-24(25(29)30-15-31-26)27-35-34-17(2)39-27)22-12-18-8-7-11-21(19-13-32-36(3)14-19)23(18)28(38)37(22)20-9-5-4-6-10-20/h4-16H,1-3H3,(H3,29,30,31,33)/t16-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/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