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SMILES: CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3cc(N)sc3c2)c2c(N)ccnc12

InChI Key: InChIKey=ANRBNTMAAZLQLH-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 4 hits for monomerid = 348161   
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))
BDBM348161
PNG
(US9790228, Compound 80)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3cc(N)sc3c2)c2c(N)ccnc12
Show InChI InChI=1S/C29H28N8S/c1-35-10-12-36(13-11-35)28-21(14-18-4-2-3-5-23(18)33-28)17-37-29-26(22(30)8-9-32-29)27(34-37)20-7-6-19-16-25(31)38-24(19)15-20/h2-9,14-16H,10-13,17,31H2,1H3,(H2,30,32)
PDB
MMDB

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PC cid
PC sid
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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))
BDBM348161
PNG
(US9790228, Compound 80)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3cc(N)sc3c2)c2c(N)ccnc12
Show InChI InChI=1S/C29H28N8S/c1-35-10-12-36(13-11-35)28-21(14-18-4-2-3-5-23(18)33-28)17-37-29-26(22(30)8-9-32-29)27(34-37)20-7-6-19-16-25(31)38-24(19)15-20/h2-9,14-16H,10-13,17,31H2,1H3,(H2,30,32)
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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
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM348161
PNG
(US9790228, Compound 80)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3cc(N)sc3c2)c2c(N)ccnc12
Show InChI InChI=1S/C29H28N8S/c1-35-10-12-36(13-11-35)28-21(14-18-4-2-3-5-23(18)33-28)17-37-29-26(22(30)8-9-32-29)27(34-37)20-7-6-19-16-25(31)38-24(19)15-20/h2-9,14-16H,10-13,17,31H2,1H3,(H2,30,32)
PDB

UniProtKB/SwissProt

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM348161
PNG
(US9790228, Compound 80)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3cc(N)sc3c2)c2c(N)ccnc12
Show InChI InChI=1S/C29H28N8S/c1-35-10-12-36(13-11-35)28-21(14-18-4-2-3-5-23(18)33-28)17-37-29-26(22(30)8-9-32-29)27(34-37)20-7-6-19-16-25(31)38-24(19)15-20/h2-9,14-16H,10-13,17,31H2,1H3,(H2,30,32)
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