BindingDB logo
myBDB logout

null

SMILES: CC[C@H](Nc1ncnc(N)c1-c1ncc(C)o1)c1nc2cccc(Cl)c2c(=O)n1C1CC1

InChI Key: InChIKey=UTGBAOBFAHYEMU-AWEZNQCLSA-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 2 hits for monomerid = 188325   
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 4,5-bisphosphate 3-kinase catalytic subunit beta/delta isoform


(Homo sapiens (Human))
BDBM188325
PNG
(US9670194, Ex. 7 (S)-2-(1-((6-amino-5-(5-methyloxa...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1ncc(C)o1)c1nc2cccc(Cl)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1S/C22H22ClN7O2/c1-3-14(28-19-17(18(24)26-10-27-19)21-25-9-11(2)32-21)20-29-15-6-4-5-13(23)16(15)22(31)30(20)12-7-8-12/h4-6,9-10,12,14H,3,7-8H2,1-2H3,(H3,24,26,27,28)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 246n/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))
BDBM188325
PNG
(US9670194, Ex. 7 (S)-2-(1-((6-amino-5-(5-methyloxa...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1ncc(C)o1)c1nc2cccc(Cl)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1S/C22H22ClN7O2/c1-3-14(28-19-17(18(24)26-10-27-19)21-25-9-11(2)32-21)20-29-15-6-4-5-13(23)16(15)22(31)30(20)12-7-8-12/h4-6,9-10,12,14H,3,7-8H2,1-2H3,(H3,24,26,27,28)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.78E+3n/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