BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=FRYWZGFVRMFIFU-IBGZPJMESA-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 = 457853   
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))
BDBM457853
PNG
((S)-2-(1-((6-amino-5-(3-methyl-1,2,4-oxadiazol-5-y...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CC)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H24N8O2/c1-4-10-17-11-9-14-20-21(17)27(36)35(18-12-7-6-8-13-18)25(33-20)19(5-2)32-24-22(23(28)29-15-30-24)26-31-16(3)34-37-26/h6-9,11-15,19H,5H2,1-3H3,(H3,28,29,30,32)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.89E+3n/an/an/an/an/an/a



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

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 US10751339 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM457853
PNG
((S)-2-(1-((6-amino-5-(3-methyl-1,2,4-oxadiazol-5-y...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CC)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H24N8O2/c1-4-10-17-11-9-14-20-21(17)27(36)35(18-12-7-6-8-13-18)25(33-20)19(5-2)32-24-22(23(28)29-15-30-24)26-31-16(3)34-37-26/h6-9,11-15,19H,5H2,1-3H3,(H3,28,29,30,32)/t19-/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 15n/an/an/an/an/an/a



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

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 US10751339 (2020)

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))
BDBM457853
PNG
((S)-2-(1-((6-amino-5-(3-methyl-1,2,4-oxadiazol-5-y...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CC)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H24N8O2/c1-4-10-17-11-9-14-20-21(17)27(36)35(18-12-7-6-8-13-18)25(33-20)19(5-2)32-24-22(23(28)29-15-30-24)26-31-16(3)34-37-26/h6-9,11-15,19H,5H2,1-3H3,(H3,28,29,30,32)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



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

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 US10751339 (2020)

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))
BDBM457853
PNG
((S)-2-(1-((6-amino-5-(3-methyl-1,2,4-oxadiazol-5-y...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CC)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H24N8O2/c1-4-10-17-11-9-14-20-21(17)27(36)35(18-12-7-6-8-13-18)25(33-20)19(5-2)32-24-22(23(28)29-15-30-24)26-31-16(3)34-37-26/h6-9,11-15,19H,5H2,1-3H3,(H3,28,29,30,32)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 582n/an/an/an/an/an/a



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

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 US10751339 (2020)

More data for this
Ligand-Target Pair