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BDBM295096 3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide::US10112926, Example 27

SMILES: Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F

InChI Key: InChIKey=HMEBOKIRXYGIPL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 295096   
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 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295096
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Show InChI InChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 660n/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)


Article DOI: 10.1016/j.bmc.2007.05.069
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))
BDBM295096
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Show InChI InChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1016/j.bmc.2007.05.069
BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM295096
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Show InChI InChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22)
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PC sid
UniChem
Article
US Patent
n/an/a 860n/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)


Article DOI: 10.1016/j.bmc.2007.05.069
BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM295096
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Show InChI InChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.40E+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)


Article DOI: 10.1016/j.bmc.2007.05.069
BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM295096
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Show InChI InChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22)
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PC sid
UniChem
Article
US Patent
n/an/a 70n/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)


Article DOI: 10.1016/j.bmc.2007.05.069
BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM295096
PNG
(3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...)
Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Show InChI InChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22)
PDB
MMDB

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Article
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)


Article DOI: 10.1016/j.bmc.2007.05.069
BindingDB Entry DOI: 10.7270/Q22R3TQ9
More data for this
Ligand-Target Pair