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SMILES: CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12

InChI Key: InChIKey=NRAJEVQFTLCPNU-UHFFFAOYSA-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 3 hits for monomerid = 348232   
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 delta isoform


(Homo sapiens (Human))
BDBM348232
PNG
(US9790228, Compound 151)
Show SMILES CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C28H27N9OS/c1-15(2)36(4)26-19(11-17-7-5-6-8-20(17)33-26)13-37-27-23(25(29)30-14-31-27)24(35-37)18-9-10-21-22(12-18)39-28(34-21)32-16(3)38/h5-12,14-15H,13H2,1-4H3,(H2,29,30,31)(H,32,34,38)
PDB
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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
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348232
PNG
(US9790228, Compound 151)
Show SMILES CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C28H27N9OS/c1-15(2)36(4)26-19(11-17-7-5-6-8-20(17)33-26)13-37-27-23(25(29)30-14-31-27)24(35-37)18-9-10-21-22(12-18)39-28(34-21)32-16(3)38/h5-12,14-15H,13H2,1-4H3,(H2,29,30,31)(H,32,34,38)
NCI pathway
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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 gamma isoform


(Homo sapiens (Human))
BDBM348232
PNG
(US9790228, Compound 151)
Show SMILES CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C28H27N9OS/c1-15(2)36(4)26-19(11-17-7-5-6-8-20(17)33-26)13-37-27-23(25(29)30-14-31-27)24(35-37)18-9-10-21-22(12-18)39-28(34-21)32-16(3)38/h5-12,14-15H,13H2,1-4H3,(H2,29,30,31)(H,32,34,38)
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<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