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SMILES: Cc1nc(N)nc(N2CCC[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N

InChI Key: InChIKey=BQKRPXCJIYXLOR-QFIPXVFZSA-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 = 362680   
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))
BDBM362680
PNG
(US9840498, 6)
Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Show InChI InChI=1S/C28H24FN9O/c1-16-19(13-30)25(35-28(31)33-16)37-12-6-9-22(37)26-34-21-11-10-20(29)23(17-14-32-36(2)15-17)24(21)27(39)38(26)18-7-4-3-5-8-18/h3-5,7-8,10-11,14-15,22H,6,9,12H2,1-2H3,(H2,31,33,35)/t22-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 130n/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))
BDBM362680
PNG
(US9840498, 6)
Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Show InChI InChI=1S/C28H24FN9O/c1-16-19(13-30)25(35-28(31)33-16)37-12-6-9-22(37)26-34-21-11-10-20(29)23(17-14-32-36(2)15-17)24(21)27(39)38(26)18-7-4-3-5-8-18/h3-5,7-8,10-11,14-15,22H,6,9,12H2,1-2H3,(H2,31,33,35)/t22-/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 56n/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))
BDBM362680
PNG
(US9840498, 6)
Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3ccc(F)c(-c4cnn(C)c4)c3c(=O)n2-c2ccccc2)c1C#N |r|
Show InChI InChI=1S/C28H24FN9O/c1-16-19(13-30)25(35-28(31)33-16)37-12-6-9-22(37)26-34-21-11-10-20(29)23(17-14-32-36(2)15-17)24(21)27(39)38(26)18-7-4-3-5-8-18/h3-5,7-8,10-11,14-15,22H,6,9,12H2,1-2H3,(H2,31,33,35)/t22-/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 9n/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