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SMILES: Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N

InChI Key: InChIKey=GSRNNPHHTAAGGS-AVRDEDQJSA-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 = 362675   
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 alpha isoform


(Homo sapiens (Human))
BDBM362675
PNG
(US9840498, 1)
Show SMILES Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C28H24FN9O2/c1-15-19(11-30)25(35-28(31)33-15)37-14-18(39)10-22(37)26-34-21-9-8-20(29)23(16-12-32-36(2)13-16)24(21)27(40)38(26)17-6-4-3-5-7-17/h3-9,12-13,18,22,39H,10,14H2,1-2H3,(H2,31,33,35)/t18-,22-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 74n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...


US Patent US9840498 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C7X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM362675
PNG
(US9840498, 1)
Show SMILES Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C28H24FN9O2/c1-15-19(11-30)25(35-28(31)33-15)37-14-18(39)10-22(37)26-34-21-9-8-20(29)23(16-12-32-36(2)13-16)24(21)27(40)38(26)17-6-4-3-5-7-17/h3-9,12-13,18,22,39H,10,14H2,1-2H3,(H2,31,33,35)/t18-,22-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...


US Patent US9840498 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C7X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM362675
PNG
(US9840498, 1)
Show SMILES Cc1nc(N)nc(N2C[C@@H](O)C[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N
Show InChI InChI=1S/C28H24FN9O2/c1-15-19(11-30)25(35-28(31)33-15)37-14-18(39)10-22(37)26-34-21-9-8-20(29)23(16-12-32-36(2)13-16)24(21)27(40)38(26)17-6-4-3-5-7-17/h3-9,12-13,18,22,39H,10,14H2,1-2H3,(H2,31,33,35)/t18-,22-/m0/s1
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 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...


US Patent US9840498 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C7X
More data for this
Ligand-Target Pair