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SMILES: Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1

InChI Key: InChIKey=LODPWNVFWVRUDN-UHFFFAOYSA-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 7 hits for monomerid = 295097   
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))
BDBM295097
PNG
(3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Show InChI InChI=1S/C23H26N4O3S2/c1-13-3-4-18(32(29,30)27-16-7-23(8-16)9-17(28)10-23)6-19(13)15-5-20(22(24)26-11-15)21-12-25-14(2)31-21/h3-6,11-12,16-17,27-28H,7-10H2,1-2H3,(H2,24,26)
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n/an/a 50n/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))
BDBM295097
PNG
(3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Show InChI InChI=1S/C23H26N4O3S2/c1-13-3-4-18(32(29,30)27-16-7-23(8-16)9-17(28)10-23)6-19(13)15-5-20(22(24)26-11-15)21-12-25-14(2)31-21/h3-6,11-12,16-17,27-28H,7-10H2,1-2H3,(H2,24,26)
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n/an/a 450n/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))
BDBM295097
PNG
(3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Show InChI InChI=1S/C23H26N4O3S2/c1-13-3-4-18(32(29,30)27-16-7-23(8-16)9-17(28)10-23)6-19(13)15-5-20(22(24)26-11-15)21-12-25-14(2)31-21/h3-6,11-12,16-17,27-28H,7-10H2,1-2H3,(H2,24,26)
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n/an/a 2.00E+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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM295097
PNG
(3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Show InChI InChI=1S/C23H26N4O3S2/c1-13-3-4-18(32(29,30)27-16-7-23(8-16)9-17(28)10-23)6-19(13)15-5-20(22(24)26-11-15)21-12-25-14(2)31-21/h3-6,11-12,16-17,27-28H,7-10H2,1-2H3,(H2,24,26)
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n/an/a 130n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Binding Assays are based on the binding and displacement of an Alexa Fluor 647-labeled, ATP-competitive kinase inhibitors to the kinase of interest. ...


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 gamma isoform


(Homo sapiens (Human))
BDBM295097
PNG
(3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Show InChI InChI=1S/C23H26N4O3S2/c1-13-3-4-18(32(29,30)27-16-7-23(8-16)9-17(28)10-23)6-19(13)15-5-20(22(24)26-11-15)21-12-25-14(2)31-21/h3-6,11-12,16-17,27-28H,7-10H2,1-2H3,(H2,24,26)
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n/an/a 130n/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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM295097
PNG
(3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Show InChI InChI=1S/C23H26N4O3S2/c1-13-3-4-18(32(29,30)27-16-7-23(8-16)9-17(28)10-23)6-19(13)15-5-20(22(24)26-11-15)21-12-25-14(2)31-21/h3-6,11-12,16-17,27-28H,7-10H2,1-2H3,(H2,24,26)
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n/an/a 200n/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))
BDBM295097
PNG
(3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...)
Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Show InChI InChI=1S/C23H26N4O3S2/c1-13-3-4-18(32(29,30)27-16-7-23(8-16)9-17(28)10-23)6-19(13)15-5-20(22(24)26-11-15)21-12-25-14(2)31-21/h3-6,11-12,16-17,27-28H,7-10H2,1-2H3,(H2,24,26)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 680n/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