BindingDB logo
myBDB logout

BDBM348127 US9790228, Compound 46

SMILES: Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3C(F)(F)F)nc(-c3cccc(O)c3)c12

InChI Key: InChIKey=RAOUYGPOMRHKQF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 348127   
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 gamma isoform


(Homo sapiens (Human))
BDBM348127
PNG
(US9790228, Compound 46)
Show SMILES Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3C(F)(F)F)nc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C28H19F3N6O/c29-28(30,31)21-10-3-2-9-20(21)24-18(12-16-6-1-4-11-22(16)35-24)14-37-27-23(26(32)33-15-34-27)25(36-37)17-7-5-8-19(38)13-17/h1-13,15,38H,14H2,(H2,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM348127
PNG
(US9790228, Compound 46)
Show SMILES Nc1ncnc2n(Cc3cc4ccccc4nc3-c3ccccc3C(F)(F)F)nc(-c3cccc(O)c3)c12
Show InChI InChI=1S/C28H19F3N6O/c29-28(30,31)21-10-3-2-9-20(21)24-18(12-16-6-1-4-11-22(16)35-24)14-37-27-23(26(32)33-15-34-27)25(36-37)17-7-5-8-19(38)13-17/h1-13,15,38H,14H2,(H2,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9790228 (2017)


BindingDB Entry DOI: 10.7270/Q26112FV
More data for this
Ligand-Target Pair