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Compile Data Set for Download or QSAR

Found 339 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform epsilon'   
Target
(Institution)
LigandTarget
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
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207015
PNG
(US9233965, 100)
Show SMILES C[C@H]1CC(C[C@@H](C)O1)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1
Show InChI InChI=1/C22H26ClFN4O3/c1-12-8-16(9-13(2)31-12)26-22(30)27-6-7-28-17(11-27)19(21(25)29)18(20(28)23)14-4-3-5-15(24)10-14/h3-5,10,12-13,16H,6-9,11H2,1-2H3,(H2,25,29)(H,26,30)/t12-,13+,16?
PDB

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n/an/a>1n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207001
PNG
(US9233965, 84)
Show SMILES CC1(O)CCC(CC1)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1
Show InChI InChI=1S/C22H26ClFN4O3/c1-22(31)7-5-15(6-8-22)26-21(30)27-9-10-28-16(12-27)18(20(25)29)17(19(28)23)13-3-2-4-14(24)11-13/h2-4,11,15,31H,5-10,12H2,1H3,(H2,25,29)(H,26,30)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207024
PNG
(US9233965, 2)
Show SMILES COc1ccc(cc1)-c1cn2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C20H26N4O3/c1-20(2,3)22-19(26)24-10-9-23-11-15(17(18(21)25)16(23)12-24)13-5-7-14(27-4)8-6-13/h5-8,11H,9-10,12H2,1-4H3,(H2,21,25)(H,22,26)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207023
PNG
(US9233965, 110)
Show SMILES NC(=O)c1c2CN(CCn2c(C#N)c1-c1cccc(F)c1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C22H22F3N5O2/c23-14-3-1-2-13(10-14)18-16(11-26)30-9-8-29(12-17(30)19(18)20(27)31)21(32)28-15-4-6-22(24,25)7-5-15/h1-3,10,15H,4-9,12H2,(H2,27,31)(H,28,32)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207020
PNG
(US9233965, 107)
Show SMILES CC(C)(NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C#N)-c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N5O2/c1-19(2,20(22,23)24)27-18(31)28-6-7-29-13(9-25)15(11-4-3-5-12(21)8-11)16(17(26)30)14(29)10-28/h3-5,8H,6-7,10H2,1-2H3,(H2,26,30)(H,27,31)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206925
PNG
(US9233965, 105)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C#N)-c1cccc(F)c1
Show InChI InChI=1S/C20H22FN5O2/c1-20(2,3)24-19(28)25-7-8-26-14(10-22)16(12-5-4-6-13(21)9-12)17(18(23)27)15(26)11-25/h4-6,9H,7-8,11H2,1-3H3,(H2,23,27)(H,24,28)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206924
PNG
(US9233965, 104)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(Br)c(c(C(N)=O)c2C1)-c1cccc(F)c1
Show InChI InChI=1S/C19H22BrFN4O2/c1-19(2,3)23-18(27)24-7-8-25-13(10-24)15(17(22)26)14(16(25)20)11-5-4-6-12(21)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,22,26)(H,23,27)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207003
PNG
(US9233965, 86)
Show SMILES CON=C1CCC(CC1)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1
Show InChI InChI=1S/C22H25ClFN5O3/c1-32-27-16-7-5-15(6-8-16)26-22(31)28-9-10-29-17(12-28)19(21(25)30)18(20(29)23)13-3-2-4-14(24)11-13/h2-4,11,15H,5-10,12H2,1H3,(H2,25,30)(H,26,31)/b27-16-
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206926
PNG
(US9233965, 87)
Show SMILES CC(C)(C)ON=C1CCC(CC1)NC(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H23N3O5/c1-17(2,3)25-19-13-6-4-12(5-7-13)18-16(21)24-15-10-8-14(9-11-15)20(22)23/h8-12H,4-7H2,1-3H3,(H,18,21)/b19-13-
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206971
PNG
(US9233965, 48)
Show SMILES CSc1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C23H30N4O2S/c1-23(2,3)25-22(29)26-11-12-27-17(13-26)19(21(24)28)18(20(27)15-5-6-15)14-7-9-16(30-4)10-8-14/h7-10,15H,5-6,11-13H2,1-4H3,(H2,24,28)(H,25,29)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207005
PNG
(US9233965, 89)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C21H22ClF3N4O2/c22-18-16(12-2-1-3-13(23)10-12)17(19(26)30)15-11-28(8-9-29(15)18)20(31)27-14-4-6-21(24,25)7-5-14/h1-3,10,14H,4-9,11H2,(H2,26,30)(H,27,31)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206920
PNG
(US9233965, 64)
Show SMILES COc1ccc(cc1)-c1c(Cl)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C20H25ClN4O3/c1-20(2,3)23-19(27)24-9-10-25-14(11-24)16(18(22)26)15(17(25)21)12-5-7-13(28-4)8-6-12/h5-8H,9-11H2,1-4H3,(H2,22,26)(H,23,27)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206981
PNG
(US9233965, 62)
Show SMILES COc1cccc(c1)-c1c(Cl)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C20H25ClN4O3/c1-20(2,3)23-19(27)24-8-9-25-14(11-24)16(18(22)26)15(17(25)21)12-6-5-7-13(10-12)28-4/h5-7,10H,8-9,11H2,1-4H3,(H2,22,26)(H,23,27)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206915
PNG
(US9233965, 79)
Show SMILES CC(C)(NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF4N4O2/c1-18(2,19(22,23)24)26-17(30)27-6-7-28-12(9-27)14(16(25)29)13(15(28)20)10-4-3-5-11(21)8-10/h3-5,8H,6-7,9H2,1-2H3,(H2,25,29)(H,26,30)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207019
PNG
(US9233965, 106)
Show SMILES CC(NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C#N)-c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1/C19H17F4N5O2/c1-10(19(21,22)23)26-18(30)27-5-6-28-13(8-24)15(11-3-2-4-12(20)7-11)16(17(25)29)14(28)9-27/h2-4,7,10H,5-6,9H2,1H3,(H2,25,29)(H,26,30)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207002
PNG
(US9233965, 85)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCC(O)(CC1)C(F)(F)F
Show InChI InChI=1S/C22H23ClF4N4O3/c23-18-16(12-2-1-3-13(24)10-12)17(19(28)32)15-11-30(8-9-31(15)18)20(33)29-14-4-6-21(34,7-5-14)22(25,26)27/h1-3,10,14,34H,4-9,11H2,(H2,28,32)(H,29,33)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206928
PNG
(US9233965, 4)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206939
PNG
(US9233965, 15)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H32N4O2/c1-28(2,3)30-27(34)31-15-16-32-22(17-31)24(26(29)33)23(25(32)21-13-14-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,21H,13-17H2,1-3H3,(H2,29,33)(H,30,34)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206984
PNG
(US9233965, 67)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1
Show InChI InChI=1S/C19H22ClFN4O2/c1-19(2,3)23-18(27)24-7-8-25-13(10-24)15(17(22)26)14(16(25)20)11-5-4-6-12(21)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,22,26)(H,23,27)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206923
PNG
(US9233965, 83)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C21H24ClFN4O3/c22-19-17(12-2-1-3-13(23)10-12)18(20(24)29)16-11-26(8-9-27(16)19)21(30)25-14-4-6-15(28)7-5-14/h1-3,10,14-15,28H,4-9,11H2,(H2,24,29)(H,25,30)/t14-,15-
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206998
PNG
(US9233965, 78)
Show SMILES CC(NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1/C18H17ClF4N4O2/c1-9(18(21,22)23)25-17(29)26-5-6-27-12(8-26)14(16(24)28)13(15(27)19)10-3-2-4-11(20)7-10/h2-4,7,9H,5-6,8H2,1H3,(H2,24,28)(H,25,29)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206991
PNG
(US9233965, 71)
Show SMILES CCC(CC)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C21H27ClN4O2/c1-3-14(4-2)12-24-21(28)25-10-11-26-16(13-25)18(20(23)27)17(19(26)22)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3,(H2,23,27)(H,24,28)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206990
PNG
(US9233965, 70)
Show SMILES CC(C)(C)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C20H25ClN4O2/c1-20(2,3)12-23-19(27)24-9-10-25-14(11-24)16(18(22)26)15(17(25)21)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H2,22,26)(H,23,27)
PDB

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206983
PNG
(US9233965, 66)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H22ClF3N4O2/c1-19(2,3)26-18(30)27-7-8-28-13(10-27)15(17(25)29)14(16(28)21)11-5-4-6-12(9-11)20(22,23)24/h4-6,9H,7-8,10H2,1-3H3,(H2,25,29)(H,26,30)
PDB

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206980
PNG
(US9233965, 61)
Show SMILES Cc1cccc(c1)-c1c(Cl)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C20H25ClN4O2/c1-12-6-5-7-13(10-12)15-16(18(22)26)14-11-24(8-9-25(14)17(15)21)19(27)23-20(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H2,22,26)(H,23,27)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206986
PNG
(US9233965, 55)
Show SMILES COc1ccc(cc1)-c1c(C(N)=O)c2CN(CCn2c1C1CC1)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C30H38N4O3/c1-37-23-6-4-21(5-7-23)25-26(28(31)35)24-16-33(8-9-34(24)27(25)22-2-3-22)29(36)32-17-30-13-18-10-19(14-30)12-20(11-18)15-30/h4-7,18-20,22H,2-3,8-17H2,1H3,(H2,31,35)(H,32,36)
PDB

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206935
PNG
(US9233965, 11)
Show SMILES Cc1cccc(c1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C23H30N4O2/c1-14-6-5-7-16(12-14)18-19(21(24)28)17-13-26(22(29)25-23(2,3)4)10-11-27(17)20(18)15-8-9-15/h5-7,12,15H,8-11,13H2,1-4H3,(H2,24,28)(H,25,29)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206955
PNG
(US9233965, 32)
Show SMILES COc1cccc(c1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C23H30N4O3/c1-23(2,3)25-22(29)26-10-11-27-17(13-26)19(21(24)28)18(20(27)14-8-9-14)15-6-5-7-16(12-15)30-4/h5-7,12,14H,8-11,13H2,1-4H3,(H2,24,28)(H,25,29)
PDB

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206951
PNG
(US9233965, 28)
Show SMILES CN(C)c1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C24H33N5O2/c1-24(2,3)26-23(31)28-11-12-29-18(14-28)20(22(25)30)19(21(29)15-9-10-15)16-7-6-8-17(13-16)27(4)5/h6-8,13,15H,9-12,14H2,1-5H3,(H2,25,30)(H,26,31)
PDB

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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206995
PNG
(US9233965, 75)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NCC1(CO)CC1
Show InChI InChI=1S/C20H22ClFN4O3/c21-17-15(12-2-1-3-13(22)8-12)16(18(23)28)14-9-25(6-7-26(14)17)19(29)24-10-20(11-27)4-5-20/h1-3,8,27H,4-7,9-11H2,(H2,23,28)(H,24,29)
PDB

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207014
PNG
(US9233965, 99)
Show SMILES CC1(C)CC(CCO1)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1
Show InChI InChI=1/C22H26ClFN4O3/c1-22(2)11-15(6-9-31-22)26-21(30)27-7-8-28-16(12-27)18(20(25)29)17(19(28)23)13-4-3-5-14(24)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3,(H2,25,29)(H,26,30)
PDB

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207000
PNG
(US9233965, 82)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H25ClN4O2/c22-19-17(14-7-3-1-4-8-14)18(20(23)27)16-13-25(11-12-26(16)19)21(28)24-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H2,23,27)(H,24,28)
PDB

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UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207007
PNG
(US9233965, 91)
Show SMILES CC1(CNC(=O)N2CCn3c(Cl)c(c(C(N)=O)c3C2)-c2cccc(F)c2)COC1
Show InChI InChI=1S/C20H22ClFN4O3/c1-20(10-29-11-20)9-24-19(28)25-5-6-26-14(8-25)16(18(23)27)15(17(26)21)12-3-2-4-13(22)7-12/h2-4,7H,5-6,8-11H2,1H3,(H2,23,27)(H,24,28)
PDB

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UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207004
PNG
(US9233965, 88)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NC12CCC(C1)C=C2
Show InChI InChI=1/C22H23ClN4O2/c23-19-17(15-4-2-1-3-5-15)18(20(24)28)16-13-26(10-11-27(16)19)21(29)25-22-8-6-14(12-22)7-9-22/h1-6,8,14H,7,9-13H2,(H2,24,28)(H,25,29)
PDB

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207021
PNG
(US9233965, 108)
Show SMILES NC(=O)c1c2CN(CCn2c(C#N)c1-c1cccc(F)c1)C(=O)NCCCC(F)(F)F
Show InChI InChI=1S/C20H19F4N5O2/c21-13-4-1-3-12(9-13)16-14(10-25)29-8-7-28(11-15(29)17(16)18(26)30)19(31)27-6-2-5-20(22,23)24/h1,3-4,9H,2,5-8,11H2,(H2,26,30)(H,27,31)
PDB

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UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206989
PNG
(US9233965, 69)
Show SMILES CC(C)CCNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C20H25ClN4O2/c1-13(2)8-9-23-20(27)24-10-11-25-15(12-24)17(19(22)26)16(18(25)21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H2,22,26)(H,23,27)
PDB

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UniProtKB/SwissProt

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n/an/a 5n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206996
PNG
(US9233965, 77)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C17H15ClF4N4O2/c18-14-12(9-2-1-3-10(19)6-9)13(15(23)27)11-7-25(4-5-26(11)14)16(28)24-8-17(20,21)22/h1-3,6H,4-5,7-8H2,(H2,23,27)(H,24,28)
PDB

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UniProtKB/SwissProt

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n/an/a 5n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207006
PNG
(US9233965, 90)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1COC1
Show InChI InChI=1S/C18H18ClFN4O3/c19-16-14(10-2-1-3-11(20)6-10)15(17(21)25)13-7-23(4-5-24(13)16)18(26)22-12-8-27-9-12/h1-3,6,12H,4-5,7-9H2,(H2,21,25)(H,22,26)
PDB

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UniProtKB/SwissProt

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n/an/a 6n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206916
PNG
(US9233965, 95)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(c1)C#N)C(=O)NC1CCOCC1
Show InChI InChI=1S/C21H22ClN5O3/c22-19-17(14-3-1-2-13(10-14)11-23)18(20(24)28)16-12-26(6-7-27(16)19)21(29)25-15-4-8-30-9-5-15/h1-3,10,15H,4-9,12H2,(H2,24,28)(H,25,29)
PDB

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UniProtKB/SwissProt

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n/an/a 6n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206994
PNG
(US9233965, 74)
Show SMILES CC(C)(CO)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF3N4O3/c1-20(2,11-30)10-27-19(32)28-6-7-29-14(9-28)16(18(26)31)15(17(29)22)12-4-3-5-13(8-12)21(23,24)25/h3-5,8,30H,6-7,9-11H2,1-2H3,(H2,26,31)(H,27,32)
PDB

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UniProtKB/SwissProt

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n/an/a 6n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206993
PNG
(US9233965, 73)
Show SMILES CC(C)(CO)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(F)c1
Show InChI InChI=1S/C20H24ClFN4O3/c1-20(2,11-27)10-24-19(29)25-6-7-26-14(9-25)16(18(23)28)15(17(26)21)12-4-3-5-13(22)8-12/h3-5,8,27H,6-7,9-11H2,1-2H3,(H2,23,28)(H,24,29)
PDB

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UniProtKB/SwissProt

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n/an/a 6n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206987
PNG
(US9233965, 54)
Show SMILES NC(=O)c1c2CN(CCn2c(C2CC2)c1-c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C29H36N4O2/c30-27(34)25-23-16-32(28(35)31-17-29-13-18-10-19(14-29)12-20(11-18)15-29)8-9-33(23)26(22-6-7-22)24(25)21-4-2-1-3-5-21/h1-5,18-20,22H,6-17H2,(H2,30,34)(H,31,35)
PDB

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UniProtKB/SwissProt

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n/an/a 6n/an/an/an/an/an/a



SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206985
PNG
(US9233965, 53)
Show SMILES COc1ccc(cc1)-c1c(C(N)=O)c2CN(CCn2c1C1CC1)C(=O)NCC12CC3CC1CC(C2)C3
Show InChI InChI=1/C29H36N4O3/c1-36-22-6-4-19(5-7-22)24-25(27(30)34)23-15-32(8-9-33(23)26(24)20-2-3-20)28(35)31-16-29-13-17-10-18(14-29)12-21(29)11-17/h4-7,17-18,20-21H,2-3,8-16H2,1H3,(H2,30,34)(H,31,35)
PDB

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US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206917
PNG
(US9233965, 60)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C19H23ClN4O2/c1-19(2,3)22-18(26)23-9-10-24-13(11-23)15(17(21)25)14(16(24)20)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,21,25)(H,22,26)
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US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM207017
PNG
(US9233965, 102)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1/C19H20ClFN4O4S/c20-17-15(11-2-1-3-12(21)8-11)16(18(22)26)14-9-24(5-6-25(14)17)19(27)23-13-4-7-30(28,29)10-13/h1-3,8,13H,4-7,9-10H2,(H2,22,26)(H,23,27)
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US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206969
PNG
(US9233965, 46)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1cccc(F)c1
Show InChI InChI=1S/C22H27FN4O2/c1-22(2,3)25-21(29)26-9-10-27-16(12-26)18(20(24)28)17(19(27)13-7-8-13)14-5-4-6-15(23)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H2,24,28)(H,25,29)
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US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50364141
PNG
(CHEMBL1951415)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CK1epsilon expressed in Escherichia coli BL21 using PLSRTLpSVASLPGL as substrate after 3 hrs by KinaseGlo assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206999
PNG
(US9233965, 80)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NCCC(F)(F)F
Show InChI InChI=1S/C18H17ClF4N4O2/c19-15-13(10-2-1-3-11(20)8-10)14(16(24)28)12-9-26(6-7-27(12)15)17(29)25-5-4-18(21,22)23/h1-3,8H,4-7,9H2,(H2,24,28)(H,25,29)
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US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206914
PNG
(US9233965, 81)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NCCCC(F)(F)F
Show InChI InChI=1S/C19H19ClF4N4O2/c20-16-14(11-3-1-4-12(21)9-11)15(17(25)29)13-10-27(7-8-28(13)16)18(30)26-6-2-5-19(22,23)24/h1,3-4,9H,2,5-8,10H2,(H2,25,29)(H,26,30)
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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM206992
PNG
(US9233965, 72)
Show SMILES CC(C)(C)CCNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C21H27ClN4O2/c1-21(2,3)9-10-24-20(28)25-11-12-26-15(13-25)17(19(23)27)16(18(26)22)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H2,23,27)(H,24,28)
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SANOFI

US Patent


Assay Description
"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.0...


US Patent US9233965 (2016)

More data for this
Ligand-Target Pair
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