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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.4
BDBM295094

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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 gamma isoform


(Homo sapiens (Human))
BDBM295094
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Show InChI InChI=1S/C20H22N4O4S/c1-12-3-4-16(29(25,26)23-8-14-10-27-11-14)7-17(12)15-6-18(20(21)22-9-15)19-5-13(2)24-28-19/h3-7,9,14,23H,8,10-11H2,1-2H3,(H2,21,22)
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PC cid
PC sid
UniChem
US Patent
n/an/a 43n/an/an/an/a7.5n/a



Novartis AG

US Patent


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


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295094
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Show InChI InChI=1S/C20H22N4O4S/c1-12-3-4-16(29(25,26)23-8-14-10-27-11-14)7-17(12)15-6-18(20(21)22-9-15)19-5-13(2)24-28-19/h3-7,9,14,23H,8,10-11H2,1-2H3,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM295094
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Show InChI InChI=1S/C20H22N4O4S/c1-12-3-4-16(29(25,26)23-8-14-10-27-11-14)7-17(12)15-6-18(20(21)22-9-15)19-5-13(2)24-28-19/h3-7,9,14,23H,8,10-11H2,1-2H3,(H2,21,22)
PDB
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PC cid
PC sid
UniChem
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n/an/a 430n/an/an/an/a7.5n/a



Novartis AG

US Patent


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


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM295094
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Show InChI InChI=1S/C20H22N4O4S/c1-12-3-4-16(29(25,26)23-8-14-10-27-11-14)7-17(12)15-6-18(20(21)22-9-15)19-5-13(2)24-28-19/h3-7,9,14,23H,8,10-11H2,1-2H3,(H2,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+3n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM295094
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Show InChI InChI=1S/C20H22N4O4S/c1-12-3-4-16(29(25,26)23-8-14-10-27-11-14)7-17(12)15-6-18(20(21)22-9-15)19-5-13(2)24-28-19/h3-7,9,14,23H,8,10-11H2,1-2H3,(H2,21,22)
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.40E+3n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM295094
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Show InChI InChI=1S/C20H22N4O4S/c1-12-3-4-16(29(25,26)23-8-14-10-27-11-14)7-17(12)15-6-18(20(21)22-9-15)19-5-13(2)24-28-19/h3-7,9,14,23H,8,10-11H2,1-2H3,(H2,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...


US Patent US10112926 (2018)


BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair