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Patent code US9233965

Compile Data Set for Download or QSAR
Found 111 hits of Enzyme Inhibition Constant Data   
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
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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 |(-8.83,1.75,;-7.5,2.52,;-8.83,3.29,;-7.5,.98,;-6.16,.21,;-4.83,.98,;-4.83,2.52,;-6.16,3.29,;-3.49,.21,;-2.16,.98,;-2.16,2.52,;-.83,.21,;-.83,-1.33,;.51,-2.1,;1.84,-1.33,;3.3,-1.8,;3.7,-3.29,;4.21,-.56,;3.3,.69,;3.7,2.18,;5.19,2.57,;2.61,3.26,;1.84,.21,;.51,.98,;5.75,-.56,;6.52,-1.89,;8.06,-1.89,;8.83,-.56,;8.06,.78,;8.83,2.11,;6.52,.78,)|
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207003
PNG
(US9233965, 86)
Show SMILES [#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-n2c(Cl)c(c(-[#6](-[#7])=O)c2-[#6]-1)-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-
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206926
PNG
(US9233965, 87)
Show SMILES [#6]C([#6])([#6])[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)-[#8]-c1ccc(cc1)-[#7+](-[#8-])=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-
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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
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 |r|
Show InChI InChI=1S/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?
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206928
PNG
(US9233965, 4)
Show SMILES COc1ccc(cc1)-c1c(C)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C21H28N4O3/c1-13-17(14-6-8-15(28-5)9-7-14)18(19(22)26)16-12-24(10-11-25(13)16)20(27)23-21(2,3)4/h6-9H,10-12H2,1-5H3,(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)


BindingDB Entry DOI: 10.7270/Q2086443
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 |(5.19,2.57,;3.7,2.18,;2.61,3.26,;3.3,.69,;1.84,.21,;.51,.98,;-.83,.21,;-.83,-1.33,;.51,-2.1,;1.84,-1.33,;3.3,-1.8,;3.7,-3.29,;4.21,-.56,;5.75,-.56,;6.52,-1.89,;8.06,-1.89,;8.83,-.56,;8.06,.78,;8.83,2.11,;6.52,.78,;-2.16,.98,;-2.16,2.52,;-3.49,.21,;-4.83,.98,;-6.16,.21,;-7.5,.98,;-7.5,2.52,;-8.83,3.29,;-6.16,3.29,;-4.83,2.52,;-8.83,1.75,;-10.37,1.75,;-9.92,.66,;-8.43,.26,)|
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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=1S/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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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 |r,wU:26.29,wD:23.25,(5.19,2.57,;3.7,2.18,;2.61,3.26,;3.3,.69,;1.84,.21,;.51,.98,;-.83,.21,;-.83,-1.33,;.51,-2.1,;1.84,-1.33,;3.3,-1.8,;3.7,-3.29,;4.21,-.56,;5.75,-.56,;6.52,-1.89,;8.06,-1.89,;8.83,-.56,;8.06,.78,;8.83,2.11,;6.52,.78,;-2.16,.98,;-2.16,2.52,;-3.49,.21,;-4.83,.98,;-4.83,2.52,;-6.16,3.29,;-7.5,2.52,;-8.83,3.29,;-7.5,.98,;-6.16,.21,)|
Show InChI InChI=1S/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-
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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=1S/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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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 |TLB:26:27:30:33.34.32,THB:32:33:28:31.30.36,35:33:30:27.28.36,35:27:30:33.34.32|
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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 |c:31|
Show InChI InChI=1S/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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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n/an/a 6n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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 |TLB:24:25:28:31.32.30,THB:33:31:28:25.26.34,33:25:28:31.32.30,30:31:26:29.28.34|
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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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 |TLB:30:29:34:31.32,THB:30:31:34:29.28.35,32:31:28:33.34.35,32:33:28:31.30|
Show InChI InChI=1S/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)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
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)


BindingDB Entry DOI: 10.7270/Q2086443
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=1S/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)


BindingDB Entry DOI: 10.7270/Q2086443
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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207022
PNG
(US9233965, 109)
Show SMILES NC(=O)c1c2CN(CCn2c(C#N)c1-c1cccc(F)c1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C21H22FN5O3/c22-14-3-1-2-13(10-14)18-16(11-23)27-7-6-26(12-17(27)19(18)20(24)28)21(29)25-15-4-8-30-9-5-15/h1-3,10,15H,4-9,12H2,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207013
PNG
(US9233965, 98)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C20H22ClFN4O3/c21-18-16(12-2-1-3-13(22)10-12)17(19(23)27)15-11-25(6-7-26(15)18)20(28)24-14-4-8-29-9-5-14/h1-3,10,14H,4-9,11H2,(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)


BindingDB Entry DOI: 10.7270/Q2086443
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)
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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207010
PNG
(US9233965, 94)
Show SMILES Cc1cccc(c1)-c1c(Cl)n2CCN(Cc2c1C(N)=O)C(=O)NC1CCOCC1
Show InChI InChI=1S/C21H25ClN4O3/c1-13-3-2-4-14(11-13)17-18(20(23)27)16-12-25(7-8-26(16)19(17)22)21(28)24-15-5-9-29-10-6-15/h2-4,11,15H,5-10,12H2,1H3,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206988
PNG
(US9233965, 68)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NCC1CC1
Show InChI InChI=1S/C19H21ClN4O2/c20-17-15(13-4-2-1-3-5-13)16(18(21)25)14-11-23(8-9-24(14)17)19(26)22-10-12-6-7-12/h1-5,12H,6-11H2,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206979
PNG
(US9233965, 59)
Show SMILES CC(C)CNC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C19H23ClN4O2/c1-12(2)10-22-19(26)23-8-9-24-14(11-23)16(18(21)25)15(17(24)20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207018
PNG
(US9233965, 103)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(F)c1)C(=O)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H22ClFN4O4S/c21-18-16(12-2-1-3-13(22)10-12)17(19(23)27)15-11-25(6-7-26(15)18)20(28)24-14-4-8-31(29,30)9-5-14/h1-3,10,14H,4-9,11H2,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206936
PNG
(US9233965, 12)
Show SMILES Cc1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C23H30N4O2/c1-14-5-7-15(8-6-14)18-19(21(24)28)17-13-26(22(29)25-23(2,3)4)11-12-27(17)20(18)16-9-10-16/h5-8,16H,9-13H2,1-4H3,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206968
PNG
(US9233965, 45)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccccc1F |(-8.27,.88,;-6.93,1.65,;-6.93,3.19,;-8.27,2.42,;-5.6,.88,;-4.26,1.65,;-4.26,3.19,;-2.93,.88,;-2.93,-.66,;-1.6,-1.43,;-.26,-.66,;-.26,.88,;-1.6,1.65,;1.2,1.36,;1.6,2.7,;2.65,3.83,;.95,4.08,;2.11,.11,;1.2,-1.14,;1.6,-2.62,;1.2,-4.11,;2.69,-3.71,;3.65,.11,;4.42,-1.22,;5.96,-1.22,;6.73,.11,;5.96,1.44,;4.42,1.44,;4.02,2.93,)|
Show InChI InChI=1S/C22H27FN4O2/c1-22(2,3)25-21(29)26-10-11-27-16(12-26)18(20(24)28)17(19(27)13-8-9-13)14-6-4-5-7-15(14)23/h4-7,13H,8-12H2,1-3H3,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207008
PNG
(US9233965, 92)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NC1CCOC1
Show InChI InChI=1S/C19H21ClN4O3/c20-17-15(12-4-2-1-3-5-12)16(18(21)25)14-10-23(7-8-24(14)17)19(26)22-13-6-9-27-11-13/h1-5,13H,6-11H2,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206965
PNG
(US9233965, 42)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(OCc2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C29H32ClFN4O3/c1-29(2,3)33-28(37)34-12-13-35-22(15-34)25(27(32)36)24(26(35)18-6-7-18)19-8-11-23(21(30)14-19)38-16-17-4-9-20(31)10-5-17/h4-5,8-11,14,18H,6-7,12-13,15-16H2,1-3H3,(H2,32,36)(H,33,37)
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n/an/a 16n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207016
PNG
(US9233965, 101)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C19H21ClN4O4S/c20-17-15(12-4-2-1-3-5-12)16(18(21)25)14-10-23(7-8-24(14)17)19(26)22-13-6-9-29(27,28)11-13/h1-5,13H,6-11H2,(H2,21,25)(H,22,26)
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n/an/a 17n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206954
PNG
(US9233965, 31)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C25H30N6O2/c1-25(2,3)28-24(33)29-13-14-30-19(15-29)21(23(26)32)20(22(30)17-5-6-17)16-7-9-18(10-8-16)31-12-4-11-27-31/h4,7-12,17H,5-6,13-15H2,1-3H3,(H2,26,32)(H,28,33)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206978
PNG
(US9233965, 58)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(F)c(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C19H23FN4O2/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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206997
PNG
(US9233965, 76)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C17H16ClF3N4O2/c18-14-12(10-4-2-1-3-5-10)13(15(22)26)11-8-24(6-7-25(11)14)16(27)23-9-17(19,20)21/h1-5H,6-9H2,(H2,22,26)(H,23,27)
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n/an/a 18n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207011
PNG
(US9233965, 96)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(c1)C(F)(F)F)C(=O)NC1CCOCC1
Show InChI InChI=1S/C21H22ClF3N4O3/c22-18-16(12-2-1-3-13(10-12)21(23,24)25)17(19(26)30)15-11-28(6-7-29(15)18)20(31)27-14-4-8-32-9-5-14/h1-3,10,14H,4-9,11H2,(H2,26,30)(H,27,31)
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n/an/a 19n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206962
PNG
(US9233965, 39)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H32N4O3/c1-28(2,3)30-27(34)31-15-16-32-22(17-31)24(26(29)33)23(25(32)19-9-10-19)18-11-13-21(14-12-18)35-20-7-5-4-6-8-20/h4-8,11-14,19H,9-10,15-17H2,1-3H3,(H2,29,33)(H,30,34)
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n/an/a 20n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206950
PNG
(US9233965, 27)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1cccc(c1)-n1cccn1
Show InChI InChI=1S/C25H30N6O2/c1-25(2,3)28-24(33)29-12-13-30-19(15-29)21(23(26)32)20(22(30)16-8-9-16)17-6-4-7-18(14-17)31-11-5-10-27-31/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3,(H2,26,32)(H,28,33)
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n/an/a 23n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206972
PNG
(US9233965, 49)
Show SMILES NC(=O)c1c2CN(CCn2c(C2CC2)c1-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H30N4O2/c25-23(29)21-19-15-27(24(30)26-18-9-5-2-6-10-18)13-14-28(19)22(17-11-12-17)20(21)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H2,25,29)(H,26,30)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206918
PNG
(US9233965, 1)
Show SMILES CC(C)(C)NC(=O)N1CCn2cc(c(C(N)=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C19H24N4O2/c1-19(2,3)21-18(25)23-10-9-22-11-14(13-7-5-4-6-8-13)16(17(20)24)15(22)12-23/h4-8,11H,9-10,12H2,1-3H3,(H2,20,24)(H,21,25)
PDB

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n/an/a 24n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206966
PNG
(US9233965, 43)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(OCC#N)cc1
Show InChI InChI=1S/C24H29N5O3/c1-24(2,3)27-23(31)28-11-12-29-18(14-28)20(22(26)30)19(21(29)16-4-5-16)15-6-8-17(9-7-15)32-13-10-25/h6-9,16H,4-5,11-14H2,1-3H3,(H2,26,30)(H,27,31)
PDB

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n/an/a 24n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206974
PNG
(US9233965, 50)
Show SMILES NC(=O)c1c2CN(CCn2c(C2CC2)c1-c1ccccc1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C25H32N4O2/c26-24(30)22-20-16-28(25(31)27-15-17-7-3-1-4-8-17)13-14-29(20)23(19-11-12-19)21(22)18-9-5-2-6-10-18/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16H2,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206958
PNG
(US9233965, 35)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H27F3N4O3/c1-22(2,3)28-21(32)29-9-10-30-16(12-29)18(20(27)31)17(19(30)13-7-8-13)14-5-4-6-15(11-14)33-23(24,25)26/h4-6,11,13H,7-10,12H2,1-3H3,(H2,27,31)(H,28,32)
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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206945
PNG
(US9233965, 22)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)26-22(30)27-10-11-28-17(13-27)19(21(25)29)18(20(28)16-8-9-16)15-6-4-14(12-24)5-7-15/h4-7,16H,8-11,13H2,1-3H3,(H2,25,29)(H,26,30)
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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207009
PNG
(US9233965, 93)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1ccccc1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C20H23ClN4O3/c21-18-16(13-4-2-1-3-5-13)17(19(22)26)15-12-24(8-9-25(15)18)20(27)23-14-6-10-28-11-7-14/h1-5,14H,6-12H2,(H2,22,26)(H,23,27)
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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206982
PNG
(US9233965, 63)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H22ClF3N4O3/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)31-20(22,23)24/h4-6,9H,7-8,10H2,1-3H3,(H2,25,29)(H,26,30)
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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))		BDBM206934
PNG
(US9233965, 10)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccccc1
Show InChI InChI=1S/C22H28N4O2/c1-22(2,3)24-21(28)25-11-12-26-16(13-25)18(20(23)27)17(19(26)15-9-10-15)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206976
PNG
(US9233965, 56)
Show SMILES COc1ccc(cc1)-c1c(C(N)=O)c2CN(CCn2c1C1CC1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C24H30N4O4/c1-31-18-6-4-15(5-7-18)20-21(23(25)29)19-14-27(10-11-28(19)22(20)16-2-3-16)24(30)26-17-8-12-32-13-9-17/h4-7,16-17H,2-3,8-14H2,1H3,(H2,25,29)(H,26,30)
PDB

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n/an/a 32n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206967
PNG
(US9233965, 44)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H27F3N4O3/c1-22(2,3)28-21(32)29-10-11-30-16(12-29)18(20(27)31)17(19(30)14-4-5-14)13-6-8-15(9-7-13)33-23(24,25)26/h6-9,14H,4-5,10-12H2,1-3H3,(H2,27,31)(H,28,32)
PDB

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n/an/a 33n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206948
PNG
(US9233965, 25)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H30N4O2/c1-26(2,3)28-25(32)29-12-13-30-20(15-29)22(24(27)31)21(23(30)17-9-10-17)19-11-8-16-6-4-5-7-18(16)14-19/h4-8,11,14,17H,9-10,12-13,15H2,1-3H3,(H2,27,31)(H,28,32)
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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206944
PNG
(US9233965, 21)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H27N5O2/c1-23(2,3)26-22(30)27-9-10-28-17(13-27)19(21(25)29)18(20(28)15-7-8-15)16-6-4-5-14(11-16)12-24/h4-6,11,15H,7-10,13H2,1-3H3,(H2,25,29)(H,26,30)
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n/an/a 36n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206977
PNG
(US9233965, 57)
Show SMILES COCC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H32N4O4/c1-24(2,14-31-3)26-23(30)27-11-12-28-18(13-27)20(22(25)29)19(21(28)16-5-6-16)15-7-9-17(32-4)10-8-15/h7-10,16H,5-6,11-14H2,1-4H3,(H2,25,29)(H,26,30)
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n/an/a 36n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206922
PNG
(US9233965, 16)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2/c1-22(2,3)28-21(32)29-9-10-30-16(12-29)18(20(27)31)17(19(30)13-7-8-13)14-5-4-6-15(11-14)23(24,25)26/h4-6,11,13H,7-10,12H2,1-3H3,(H2,27,31)(H,28,32)
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n/an/a 38n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206963
PNG
(US9233965, 40)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C29H34N4O3/c1-29(2,3)31-28(35)32-15-16-33-23(17-32)25(27(30)34)24(26(33)21-9-10-21)20-11-13-22(14-12-20)36-18-19-7-5-4-6-8-19/h4-8,11-14,21H,9-10,15-18H2,1-3H3,(H2,30,34)(H,31,35)
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n/an/a 38n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206973
PNG
(US9233965, 51)
Show SMILES COc1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC1(CC1)C1CC1
Show InChI InChI=1S/C25H30N4O3/c1-32-19-10-4-15(5-11-19)21-22(24(26)30)20-14-27(12-13-28(20)23(21)16-2-3-16)25(31)29(17-6-7-17)18-8-9-18/h4-5,10-11,16-18H,2-3,6-9,12-14H2,1H3,(H2,26,30)
PDB

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n/an/a 40n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206931
PNG
(US9233965, 7)
Show SMILES CC(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccccc1
Show InChI InChI=1S/C21H26N4O2/c1-13(2)23-21(27)24-10-11-25-16(12-24)18(20(22)26)17(19(25)15-8-9-15)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,22,26)(H,23,27)
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n/an/a 42n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206964
PNG
(US9233965, 41)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H33FN4O3/c1-29(2,3)32-28(36)33-14-15-34-23(16-33)25(27(31)35)24(26(34)20-6-7-20)19-8-12-22(13-9-19)37-17-18-4-10-21(30)11-5-18/h4-5,8-13,20H,6-7,14-17H2,1-3H3,(H2,31,35)(H,32,36)
PDB

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n/an/a 42n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206930
PNG
(US9233965, 6)
Show SMILES COc1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC1CC1
Show InChI InChI=1S/C22H26N4O3/c1-29-16-8-4-13(5-9-16)18-19(21(23)27)17-12-25(22(28)24-15-6-7-15)10-11-26(17)20(18)14-2-3-14/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H2,23,27)(H,24,28)
PDB

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n/an/a 43n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206975
PNG
(US9233965, 52)
Show SMILES CC(C)(C)CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccccc1
Show InChI InChI=1S/C26H36N4O2/c1-25(2,3)16-26(4,5)28-24(32)29-13-14-30-19(15-29)21(23(27)31)20(22(30)18-11-12-18)17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3,(H2,27,31)(H,28,32)
PDB

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n/an/a 45n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206934
PNG
(US9233965, 10)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccccc1
Show InChI InChI=1S/C22H28N4O2/c1-22(2,3)24-21(28)25-11-12-26-16(13-25)18(20(23)27)17(19(26)15-9-10-15)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H2,23,27)(H,24,28)
PDB

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n/an/a 46n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206933
PNG
(US9233965, 9)
Show SMILES CC(C)CNC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccccc1
Show InChI InChI=1S/C22H28N4O2/c1-14(2)12-24-22(28)25-10-11-26-17(13-25)19(21(23)27)18(20(26)16-8-9-16)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,23,27)(H,24,28)
PDB

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n/an/a 49n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206927
PNG
(US9233965, 3)
Show SMILES Cc1c(c(C(N)=O)c2CN(CCn12)C(=O)NC(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C20H26N4O2/c1-13-16(14-8-6-5-7-9-14)17(18(21)25)15-12-23(10-11-24(13)15)19(26)22-20(2,3)4/h5-9H,10-12H2,1-4H3,(H2,21,25)(H,22,26)
PDB

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n/an/a 55n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206929
PNG
(US9233965, 5)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)-c1c(C)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H32N4O3/c1-17-23(20-8-6-18(7-9-20)19-10-12-21(34-5)13-11-19)24(25(28)32)22-16-30(14-15-31(17)22)26(33)29-27(2,3)4/h6-13H,14-16H2,1-5H3,(H2,28,32)(H,29,33)
PDB

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n/an/a 56n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206959
PNG
(US9233965, 36)
Show SMILES COc1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C23H30N4O3/c1-23(2,3)25-22(29)26-11-12-27-17(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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n/an/a 61n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206960
PNG
(US9233965, 37)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C25H32N4O3/c1-25(2,3)27-24(31)28-12-13-29-19(14-28)21(23(26)30)20(22(29)16-4-5-16)15-6-8-17(9-7-15)32-18-10-11-18/h6-9,16,18H,4-5,10-14H2,1-3H3,(H2,26,30)(H,27,31)
PDB

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n/an/a 62n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206946
PNG
(US9233965, 23)
Show SMILES Cc1nnc(o1)-c1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H30N6O3/c1-14-28-29-23(34-14)17-9-5-15(6-10-17)19-20(22(26)32)18-13-30(24(33)27-25(2,3)4)11-12-31(18)21(19)16-7-8-16/h5-6,9-10,16H,7-8,11-13H2,1-4H3,(H2,26,32)(H,27,33)
PDB

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n/an/a 65n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206947
PNG
(US9233965, 24)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N4O2/c1-22(2,3)28-21(32)29-10-11-30-16(12-29)18(20(27)31)17(19(30)14-4-5-14)13-6-8-15(9-7-13)23(24,25)26/h6-9,14H,4-5,10-12H2,1-3H3,(H2,27,31)(H,28,32)
PDB

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n/an/a 84n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206970
PNG
(US9233965, 47)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-22(2,3)25-21(29)26-10-11-27-16(12-26)18(20(24)28)17(19(27)14-4-5-14)13-6-8-15(23)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3,(H2,24,28)(H,25,29)
PDB

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n/an/a 91n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM207012
PNG
(US9233965, 97)
Show SMILES NC(=O)c1c2CN(CCn2c(Cl)c1-c1cccc(OC(F)(F)F)c1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C21H22ClF3N4O4/c22-18-16(12-2-1-3-14(10-12)33-21(23,24)25)17(19(26)30)15-11-28(6-7-29(15)18)20(31)27-13-4-8-32-9-5-13/h1-3,10,13H,4-9,11H2,(H2,26,30)(H,27,31)
PDB

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n/an/a 122n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206961
PNG
(US9233965, 38)
Show SMILES CCCCOc1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O3/c1-5-6-15-33-19-11-9-17(10-12-19)21-22(24(27)31)20-16-29(25(32)28-26(2,3)4)13-14-30(20)23(21)18-7-8-18/h9-12,18H,5-8,13-16H2,1-4H3,(H2,27,31)(H,28,32)
PDB

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n/an/a 152n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206932
PNG
(US9233965, 8)
Show SMILES COc1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)C
Show InChI InChI=1S/C22H28N4O3/c1-13(2)24-22(28)25-10-11-26-17(12-25)19(21(23)27)18(20(26)15-4-5-15)14-6-8-16(29-3)9-7-14/h6-9,13,15H,4-5,10-12H2,1-3H3,(H2,23,27)(H,24,28)
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n/an/a 247n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206957
PNG
(US9233965, 34)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C28H32N4O3/c1-28(2,3)30-27(34)31-14-15-32-22(17-31)24(26(29)33)23(25(32)18-12-13-18)19-8-7-11-21(16-19)35-20-9-5-4-6-10-20/h4-11,16,18H,12-15,17H2,1-3H3,(H2,29,33)(H,30,34)
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n/an/a 315n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206953
PNG
(US9233965, 30)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C26H35N5O3/c1-26(2,3)28-25(33)30-10-11-31-20(16-30)22(24(27)32)21(23(31)18-4-5-18)17-6-8-19(9-7-17)29-12-14-34-15-13-29/h6-9,18H,4-5,10-16H2,1-3H3,(H2,27,32)(H,28,33)
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n/an/a 331n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206949
PNG
(US9233965, 26)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(c1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C24H34N6O4S/c1-24(2,3)26-23(32)29-11-12-30-18(14-29)20(22(25)31)19(21(30)15-9-10-15)16-7-6-8-17(13-16)27-35(33,34)28(4)5/h6-8,13,15,27H,9-12,14H2,1-5H3,(H2,25,31)(H,26,32)
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n/an/a 521n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206952
PNG
(US9233965, 29)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C23H31N5O4S/c1-23(2,3)25-22(30)27-11-12-28-17(13-27)19(21(24)29)18(20(28)15-5-6-15)14-7-9-16(10-8-14)26-33(4,31)32/h7-10,15,26H,5-6,11-13H2,1-4H3,(H2,24,29)(H,25,30)
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n/an/a 532n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206942
PNG
(US9233965, 19)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C27H35N5O3/c1-27(2,3)29-26(35)31-14-15-32-20(16-31)22(24(28)33)21(23(32)18-8-9-18)17-6-10-19(11-7-17)25(34)30-12-4-5-13-30/h6-7,10-11,18H,4-5,8-9,12-16H2,1-3H3,(H2,28,33)(H,29,35)
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n/an/a 587n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206938
PNG
(US9233965, 14)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C28H38N4O2/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/h9-12,18,21H,4-8,13-17H2,1-3H3,(H2,29,33)(H,30,34)
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n/an/a 613n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206943
PNG
(US9233965, 20)
Show SMILES COCNC(=O)c1ccc(cc1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H33N5O4/c1-25(2,3)28-24(33)29-11-12-30-18(13-29)20(22(26)31)19(21(30)16-7-8-16)15-5-9-17(10-6-15)23(32)27-14-34-4/h5-6,9-10,16H,7-8,11-14H2,1-4H3,(H2,26,31)(H,27,32)(H,28,33)
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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206937
PNG
(US9233965, 13)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)C1CC1
Show InChI InChI=1S/C25H32N4O2/c1-25(2,3)27-24(31)28-12-13-29-19(14-28)21(23(26)30)20(22(29)18-10-11-18)17-8-6-16(7-9-17)15-4-5-15/h6-9,15,18H,4-5,10-14H2,1-3H3,(H2,26,30)(H,27,31)
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n/an/a 725n/an/an/an/a7.525



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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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206956
PNG
(US9233965, 33)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1cccc(OC2CC2)c1
Show InChI InChI=1S/C25H32N4O3/c1-25(2,3)27-24(31)28-11-12-29-19(14-28)21(23(26)30)20(22(29)15-7-8-15)16-5-4-6-18(13-16)32-17-9-10-17/h4-6,13,15,17H,7-12,14H2,1-3H3,(H2,26,30)(H,27,31)
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n/an/a 847n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206940
PNG
(US9233965, 17)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1c(C2CC2)n2CCN(Cc2c1C(N)=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H33N5O3/c1-25(2,3)27-24(33)29-11-12-30-18(14-29)20(22(26)31)19(21(30)15-9-10-15)16-7-6-8-17(13-16)23(32)28(4)5/h6-8,13,15H,9-12,14H2,1-5H3,(H2,26,31)(H,27,33)
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n/an/a 958n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206941
PNG
(US9233965, 18)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(C1)c(C(N)=O)c(c2C1CC1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H33N5O3/c1-26(2,3)29-25(34)30-12-13-31-19(14-30)21(23(27)32)20(22(31)16-6-7-16)15-4-8-17(9-5-15)24(33)28-18-10-11-18/h4-5,8-9,16,18H,6-7,10-14H2,1-3H3,(H2,27,32)(H,28,33)(H,29,34)
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n/an/a 963n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))		BDBM206919
PNG
(US9233965, 65)
Show SMILES CC(C)(C)NC(=O)N1CCn2c(Cl)c(c(C(N)=O)c2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C20H22ClN5O2/c1-20(2,3)24-19(28)25-7-8-26-14(11-25)16(18(23)27)15(17(26)21)13-6-4-5-12(9-13)10-22/h4-6,9H,7-8,11H2,1-3H3,(H2,23,27)(H,24,28)
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n/an/a 4.27E+4n/an/an/an/a7.525



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)


BindingDB Entry DOI: 10.7270/Q2086443
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%