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BDBM208879 US9266878, 105a

SMILES: C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1

InChI Key: InChIKey=FDXCHVTULUEQLA-XISACWJONA-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 = 208879   
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 beta isoform


(Homo sapiens (Human))
BDBM208879
PNG
(US9266878, 105a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1/C27H20F2N8O/c1-15-5-3-6-21-23(15)27(38)37(19-12-17(28)11-18(29)13-19)26(36-21)16(2)35-25-20(24(30)33-14-34-25)7-8-22-31-9-4-10-32-22/h3-6,9-14,16H,1-2H3,(H3,30,33,34,35)/t16-/s2
PDB
MMDB

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B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.425



Gilead Calistoga LLC

US Patent


Assay Description
PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...


US Patent US9266878 (2016)


BindingDB Entry DOI: 10.7270/Q28K77W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM208879
PNG
(US9266878, 105a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1/C27H20F2N8O/c1-15-5-3-6-21-23(15)27(38)37(19-12-17(28)11-18(29)13-19)26(36-21)16(2)35-25-20(24(30)33-14-34-25)7-8-22-31-9-4-10-32-22/h3-6,9-14,16H,1-2H3,(H3,30,33,34,35)/t16-/s2
PDB
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.425



Gilead Calistoga LLC

US Patent


Assay Description
PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...


US Patent US9266878 (2016)


BindingDB Entry DOI: 10.7270/Q28K77W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM208879
PNG
(US9266878, 105a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1/C27H20F2N8O/c1-15-5-3-6-21-23(15)27(38)37(19-12-17(28)11-18(29)13-19)26(36-21)16(2)35-25-20(24(30)33-14-34-25)7-8-22-31-9-4-10-32-22/h3-6,9-14,16H,1-2H3,(H3,30,33,34,35)/t16-/s2
PDB
MMDB

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UniProtKB/TrEMBL

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.425



Gilead Calistoga LLC

US Patent


Assay Description
PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...


US Patent US9266878 (2016)


BindingDB Entry DOI: 10.7270/Q28K77W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM208879
PNG
(US9266878, 105a)
Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ncccn1)c1nc2cccc(C)c2c(=O)n1-c1cc(F)cc(F)c1
Show InChI InChI=1/C27H20F2N8O/c1-15-5-3-6-21-23(15)27(38)37(19-12-17(28)11-18(29)13-19)26(36-21)16(2)35-25-20(24(30)33-14-34-25)7-8-22-31-9-4-10-32-22/h3-6,9-14,16H,1-2H3,(H3,30,33,34,35)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a7.425



Gilead Calistoga LLC

US Patent


Assay Description
PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...


US Patent US9266878 (2016)


BindingDB Entry DOI: 10.7270/Q28K77W5
More data for this
Ligand-Target Pair