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BDBM348238 US9790228, Compound 157

SMILES: CC(C)Oc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12

InChI Key: InChIKey=RIPAMMVPYQNJOI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 348238   
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/gamma isoform


(Homo sapiens (Human))
BDBM348238
PNG
(US9790228, Compound 157)
Show SMILES CC(C)Oc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H24N8O2S/c1-14(2)37-26-18(10-16-6-4-5-7-19(16)32-26)12-35-25-22(24(28)29-13-30-25)23(34-35)17-8-9-20-21(11-17)38-27(33-20)31-15(3)36/h4-11,13-14H,12H2,1-3H3,(H2,28,29,30)(H,31,33,36)
PDB
MMDB

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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-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348238
PNG
(US9790228, Compound 157)
Show SMILES CC(C)Oc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H24N8O2S/c1-14(2)37-26-18(10-16-6-4-5-7-19(16)32-26)12-35-25-22(24(28)29-13-30-25)23(34-35)17-8-9-20-21(11-17)38-27(33-20)31-15(3)36/h4-11,13-14H,12H2,1-3H3,(H2,28,29,30)(H,31,33,36)
NCI pathway
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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
PI3-kinase class I


(Homo sapiens (Human))
BDBM348238
PNG
(US9790228, Compound 157)
Show SMILES CC(C)Oc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H24N8O2S/c1-14(2)37-26-18(10-16-6-4-5-7-19(16)32-26)12-35-25-22(24(28)29-13-30-25)23(34-35)17-8-9-20-21(11-17)38-27(33-20)31-15(3)36/h4-11,13-14H,12H2,1-3H3,(H2,28,29,30)(H,31,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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))
BDBM348238
PNG
(US9790228, Compound 157)
Show SMILES CC(C)Oc1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H24N8O2S/c1-14(2)37-26-18(10-16-6-4-5-7-19(16)32-26)12-35-25-22(24(28)29-13-30-25)23(34-35)17-8-9-20-21(11-17)38-27(33-20)31-15(3)36/h4-11,13-14H,12H2,1-3H3,(H2,28,29,30)(H,31,33,36)
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>1.00E+3n/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