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BDBM348213 US9790228, Compound 132

SMILES: Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)ncc3c2)c2c(N)ncnc12

InChI Key: InChIKey=RSHFVTWGEIVPOR-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 = 348213   
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))
BDBM348213
PNG
(US9790228, Compound 132)
Show SMILES Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)ncc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C30H23N9/c1-17-6-2-4-8-22(17)26-21(12-18-7-3-5-9-23(18)36-26)15-39-29-25(28(31)34-16-35-29)27(38-39)19-10-11-24-20(13-19)14-33-30(32)37-24/h2-14,16H,15H2,1H3,(H2,31,34,35)(H2,32,33,37)
PDB
MMDB

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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 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM348213
PNG
(US9790228, Compound 132)
Show SMILES Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)ncc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C30H23N9/c1-17-6-2-4-8-22(17)26-21(12-18-7-3-5-9-23(18)36-26)15-39-29-25(28(31)34-16-35-29)27(38-39)19-10-11-24-20(13-19)14-33-30(32)37-24/h2-14,16H,15H2,1H3,(H2,31,34,35)(H2,32,33,37)
NCI pathway
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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
PI3-kinase class I


(Homo sapiens (Human))
BDBM348213
PNG
(US9790228, Compound 132)
Show SMILES Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)ncc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C30H23N9/c1-17-6-2-4-8-22(17)26-21(12-18-7-3-5-9-23(18)36-26)15-39-29-25(28(31)34-16-35-29)27(38-39)19-10-11-24-20(13-19)14-33-30(32)37-24/h2-14,16H,15H2,1H3,(H2,31,34,35)(H2,32,33,37)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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))
BDBM348213
PNG
(US9790228, Compound 132)
Show SMILES Cc1ccccc1-c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)ncc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C30H23N9/c1-17-6-2-4-8-22(17)26-21(12-18-7-3-5-9-23(18)36-26)15-39-29-25(28(31)34-16-35-29)27(38-39)19-10-11-24-20(13-19)14-33-30(32)37-24/h2-14,16H,15H2,1H3,(H2,31,34,35)(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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