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Found 3364 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I/MDM2' AND taxid = 9606   
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/MDM2


(Homo sapiens (human))
BDBM50069799
PNG
(CHEMBL3407579 | US9187441, 7M)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)c(F)c(F)c1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-14(25)18(27)15(26)7-11)17-13-5-4-12(24)8-16(13)28-19(17)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)
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0.130n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192221
PNG
(US9187441, 7K)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-4-7-14(25)18(27)17(11)26)16-13-6-5-12(24)8-15(13)28-19(16)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)
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0.150n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50041086
PNG
(CHEMBL3355430)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1
Show InChI InChI=1/C30H26Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-12,15,23,25,36H,1-3,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/s2
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Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192225
PNG
(US9187441, 7P)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)cc(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-13(25)8-15(26)18(11)27)17-14-5-4-12(24)7-16(14)28-19(17)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)
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US Patent
0.170n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192217
PNG
(US9187441, 7G)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cccc(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-5-4-6-15(25)18(12)26)17-14-8-7-13(24)9-16(14)27-19(17)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)
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0.200n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192155
PNG
(US9187441, 7E)
Show SMILES CCOC(=O)c1c(C(N(Cc2ccccc2)C(C)=O)C(=O)NC2CCCCC2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1/C33H40ClN3O6/c1-6-42-31(40)29-27(25-18-17-23(34)19-26(25)37(29)32(41)43-33(3,4)5)28(30(39)35-24-15-11-8-12-16-24)36(21(2)38)20-22-13-9-7-10-14-22/h7,9-10,13-14,17-19,24,28H,6,8,11-12,15-16,20H2,1-5H3,(H,35,39)
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0.25n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192161
PNG
(US9187441, 7I)
Show SMILES CCOC(=O)c1c(C(N(Cc2ccccc2)C=O)C(=O)NC2CCCCC2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1/C32H38ClN3O6/c1-5-41-30(39)28-26(24-17-16-22(33)18-25(24)36(28)31(40)42-32(2,3)4)27(29(38)34-23-14-10-7-11-15-23)35(20-37)19-21-12-8-6-9-13-21/h6,8-9,12-13,16-18,20,23,27H,5,7,10-11,14-15,19H2,1-4H3,(H,34,38)
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0.300n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192204
PNG
(US9187441, 6M)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cc(F)c(F)c(F)c1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H25ClF3N3O4/c1-5-36-24(35)21-19(15-7-6-14(26)10-18(15)30-21)22(23(34)31-25(2,3)4)32(12-33)11-13-8-16(27)20(29)17(28)9-13/h6-10,12,22,30H,5,11H2,1-4H3,(H,31,34)
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0.400n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436682
PNG
(CHEMBL2396674)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@](C)(O)C1
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27+,28+/m0/s1
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0.440n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192213
PNG
(US9187441, 7B)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H23ClFN3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-7-15(25)8-5-13)18-16-9-6-14(24)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)
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0.450n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192196
PNG
(US9187441, 6E)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(F)c(F)c1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H26ClF2N3O4/c1-5-35-24(34)21-20(16-8-7-15(26)11-19(16)29-21)22(23(33)30-25(2,3)4)31(13-32)12-14-6-9-17(27)18(28)10-14/h6-11,13,22,29H,5,12H2,1-4H3,(H,30,33)
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0.5n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50300114
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC[C@H](O)CO
Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37)/t15-,20+,21-,23+,27-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436688
PNG
(CHEMBL2398473)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@H](O)C1
Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15-,20-,21-,23+,27+/m0/s1
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0.610n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436681
PNG
(CHEMBL2398479)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@H](C1)NS(C)(=O)=O
Show InChI InChI=1S/C28H33Cl2FN4O4S/c1-27(2,3)13-21-28(18-9-8-14(29)10-20(18)33-26(28)37)22(17-6-5-7-19(30)23(17)31)24(34-21)25(36)32-15-11-16(12-15)35-40(4,38)39/h5-10,15-16,21-22,24,34-35H,11-13H2,1-4H3,(H,32,36)(H,33,37)/t15-,16-,21-,22-,24+,28+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436685
PNG
(CHEMBL2398476)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)C1
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-27(2,3)13-21-28(18-10-7-14(29)11-20(18)33-26(28)37)22(17-5-4-6-19(30)23(17)31)24(34-21)25(36)32-15-8-9-16(35)12-15/h4-7,10-11,15-16,21-22,24,34-35H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37)/t15-,16-,21-,22-,24+,28+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192228
PNG
(US9187441, 7S)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)c(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H20ClF4N3O4/c1-23(2,3)30-21(33)20(15-12-5-4-11(24)7-14(12)29-19(15)22(34)35)31(9-32)8-10-6-13(25)17(27)18(28)16(10)26/h4-7,9,20,29H,8H2,1-3H3,(H,30,33)(H,34,35)
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0.700n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50300115
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES COCCOCCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C28H34Cl2FN3O4/c1-27(2,3)15-21-28(18-9-8-16(29)14-20(18)33-26(28)36)22(17-6-5-7-19(30)23(17)31)24(34-21)25(35)32-10-11-38-13-12-37-4/h5-9,14,21-22,24,34H,10-13,15H2,1-4H3,(H,32,35)(H,33,36)/t21-,22+,24-,28+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192151
PNG
(US9187441, 7C)
Show SMILES CCOC(=O)c1c(C(N(CC(C)C)C(C)=O)C(=O)NCc2ccccc2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1/C31H38ClN3O6/c1-8-40-29(38)27-25(23-15-14-22(32)16-24(23)35(27)30(39)41-31(5,6)7)26(34(20(4)36)18-19(2)3)28(37)33-17-21-12-10-9-11-13-21/h9-16,19,26H,8,17-18H2,1-7H3,(H,33,37)
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US Patent
0.810n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436689
PNG
(CHEMBL2398472)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC[C@H](O)CO
Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37)/t15-,20-,21-,23+,27+/m0/s1
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0.860n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
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0.880n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436686
PNG
(CHEMBL2398475)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@@H](O)C1
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-27(2,3)13-21-28(18-10-7-14(29)11-20(18)33-26(28)37)22(17-5-4-6-19(30)23(17)31)24(34-21)25(36)32-15-8-9-16(35)12-15/h4-7,10-11,15-16,21-22,24,34-35H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37)/t15-,16+,21-,22-,24+,28+/m0/s1
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0.940n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436683
PNG
(CHEMBL2398478)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@](C)(O)C1
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27-,28+/m0/s1
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0.970n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM112737
PNG
(US8629141, 4)
Show SMILES O[C@H]1CCC(CC1)NC(=O)[C@@H]1NC2(CCCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C30H34Cl2FN3O3/c31-17-8-13-21-23(16-17)35-28(39)30(21)24(20-6-5-7-22(32)25(20)33)26(36-29(30)14-3-1-2-4-15-29)27(38)34-18-9-11-19(37)12-10-18/h5-8,13,16,18-19,24,26,36-37H,1-4,9-12,14-15H2,(H,34,38)(H,35,39)/t18?,19-,24-,26+,30+/m0/s1
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US Patent
1n/a 15.6n/an/an/an/an/an/a



The Regents of the University of Michigan; Sanofi

US Patent


Assay Description
The binding affinity of the MDM2 inhibitors disclosed herein was determined using a fluorescence polarization-based (FP-based) binding assay using a ...


US Patent US8629141 (2014)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436687
PNG
(CHEMBL2398474)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1C[C@H](O)C1
Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15+,20-,21-,23+,27+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192194
PNG
(US9187441, 6C)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cccc(F)c1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H27ClFN3O4/c1-5-34-24(33)21-20(18-10-9-16(26)12-19(18)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-7-6-8-17(27)11-15/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
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1.30n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
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1.30n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50300116
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES CN1CCN(CCNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)CC1
Show InChI InChI=1S/C30H38Cl2FN5O2/c1-29(2,3)17-23-30(20-9-8-18(31)16-22(20)35-28(30)40)24(19-6-5-7-21(32)25(19)33)26(36-23)27(39)34-10-11-38-14-12-37(4)13-15-38/h5-9,16,23-24,26,36H,10-15,17H2,1-4H3,(H,34,39)(H,35,40)/t23-,24+,26-,30+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192241
PNG
(US9187441, 6A)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccccc1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H28ClN3O4/c1-5-33-24(32)21-20(18-12-11-17(26)13-19(18)27-21)22(23(31)28-25(2,3)4)29(15-30)14-16-9-7-6-8-10-16/h6-13,15,22,27H,5,14H2,1-4H3,(H,28,31)
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1.5n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM31202
PNG
(JMC493432 Compound 8 | MI-63)
Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192153
PNG
(US9187441, 7D)
Show SMILES CCOC(=O)c1c(C(N(Cc2ccccc2)C(C)=O)C(=O)NCc2ccccc2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1/C34H36ClN3O6/c1-6-43-32(41)30-28(26-18-17-25(35)19-27(26)38(30)33(42)44-34(3,4)5)29(31(40)36-20-23-13-9-7-10-14-23)37(22(2)39)21-24-15-11-8-12-16-24/h7-19,29H,6,20-21H2,1-5H3,(H,36,40)
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1.70n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM112748
PNG
(US8629141, 15)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@@H](NC2(CCCCC2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C29H33Cl2FN4O3/c30-18-7-8-20-22(17-18)34-27(38)29(20)23(19-5-4-6-21(31)24(19)32)25(35-28(29)9-2-1-3-10-28)26(37)33-11-12-36-13-15-39-16-14-36/h4-8,17,23,25,35H,1-3,9-16H2,(H,33,37)(H,34,38)/t23-,25+,29+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50041085
PNG
(CHEMBL3355429)
Show SMILES C[C@@]1(O)C[C@@H](C1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1/C28H30Cl2FN3O3/c1-26(37)13-16(14-26)32-24(35)23-21(17-6-5-7-19(30)22(17)31)28(27(34-23)10-3-2-4-11-27)18-9-8-15(29)12-20(18)33-25(28)36/h5-9,12,16,21,23,34,37H,2-4,10-11,13-14H2,1H3,(H,32,35)(H,33,36)/t16-,21-,23+,26+,28+/s2
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1.70n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192148
PNG
(US9187441, 7A)
Show SMILES CC(C)CN(C(C(=O)NCc1ccccc1)c1cn(C(=O)OC(C)(C)C)c2ccccc12)C(C)=O
Show InChI InChI=1/C28H35N3O4/c1-19(2)17-30(20(3)32)25(26(33)29-16-21-12-8-7-9-13-21)23-18-31(27(34)35-28(4,5)6)24-15-11-10-14-22(23)24/h7-15,18-19,25H,16-17H2,1-6H3,(H,29,33)
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1.80n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192229
PNG
(US9187441, 7T)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1c(F)c(F)c(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H19ClF5N3O4/c1-23(2,3)31-21(34)20(13-10-5-4-9(24)6-12(10)30-19(13)22(35)36)32(8-33)7-11-14(25)16(27)18(29)17(28)15(11)26/h4-6,8,20,30H,7H2,1-3H3,(H,31,34)(H,35,36)
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1.80n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50300118
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES CN1CCC(CCNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)CC1
Show InChI InChI=1S/C31H39Cl2FN4O2/c1-30(2,3)17-24-31(21-9-8-19(32)16-23(21)36-29(31)40)25(20-6-5-7-22(33)26(20)34)27(37-24)28(39)35-13-10-18-11-14-38(4)15-12-18/h5-9,16,18,24-25,27,37H,10-15,17H2,1-4H3,(H,35,39)(H,36,40)/t24-,25+,27-,31+/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192202
PNG
(US9187441, 6K)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(F)c(F)c1F)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H25ClF3N3O4/c1-5-36-24(35)21-18(15-8-7-14(26)10-17(15)30-21)22(23(34)31-25(2,3)4)32(12-33)11-13-6-9-16(27)20(29)19(13)28/h6-10,12,22,30H,5,11H2,1-4H3,(H,31,34)
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2.10n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192193
PNG
(US9187441, 6B)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(F)cc1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H27ClFN3O4/c1-5-34-24(33)21-20(18-11-8-16(26)12-19(18)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-6-9-17(27)10-7-15/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
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2.20n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192216
PNG
(US9187441, 7F)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)cc1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-6-14(25)9-16(12)26)18-15-7-5-13(24)8-17(15)27-19(18)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)
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2.30n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192222
PNG
(US9187441, 7L)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)c(F)cc1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-15(26)16(27)8-14(11)25)18-13-5-4-12(24)7-17(13)28-19(18)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)
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2.30n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50436684
PNG
(CHEMBL2398477)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C27H32Cl2FN3O3/c1-25(2,3)12-19-27(16-10-9-14(28)11-18(16)32-24(27)35)20(15-7-6-8-17(29)21(15)30)22(33-19)23(34)31-13-26(4,5)36/h6-11,19-20,22,33,36H,12-13H2,1-5H3,(H,31,34)(H,32,35)/t19-,20-,22+,27+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192200
PNG
(US9187441, 6I)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cc(F)cc(F)c1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H26ClF2N3O4/c1-5-35-24(34)21-20(18-7-6-15(26)10-19(18)29-21)22(23(33)30-25(2,3)4)31(13-32)12-14-8-16(27)11-17(28)9-14/h6-11,13,22,29H,5,12H2,1-4H3,(H,30,33)
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2.40n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192159
PNG
(US9187441, 7H)
Show SMILES CCCC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1c(C(=O)OCC)n(C(=O)OC(C)(C)C)c2cc(Cl)ccc12
Show InChI InChI=1/C35H44ClN3O6/c1-6-14-28(40)38(22-23-15-10-8-11-16-23)30(32(41)37-25-17-12-9-13-18-25)29-26-20-19-24(36)21-27(26)39(31(29)33(42)44-7-2)34(43)45-35(3,4)5/h8,10-11,15-16,19-21,25,30H,6-7,9,12-14,17-18,22H2,1-5H3,(H,37,41)
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2.5n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192207
PNG
(US9187441, 6P)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cc(F)cc(F)c1F)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H25ClF3N3O4/c1-5-36-24(35)21-19(16-7-6-14(26)9-18(16)30-21)22(23(34)31-25(2,3)4)32(12-33)11-13-8-15(27)10-17(28)20(13)29/h6-10,12,22,30H,5,11H2,1-4H3,(H,31,34)
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2.5n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50041075
PNG
(CHEMBL3355417)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1/C30H34Cl2FN3O3/c31-17-8-13-21-23(16-17)35-28(39)30(21)24(20-6-5-7-22(32)25(20)33)26(36-29(30)14-3-1-2-4-15-29)27(38)34-18-9-11-19(37)12-10-18/h5-8,13,16,18-19,24,26,36-37H,1-4,9-12,14-15H2,(H,34,38)(H,35,39)/t18-,19-,24-,26+,30+/s2
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2.80n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50041074
PNG
(CHEMBL3355416)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1/C29H32Cl2FN3O3/c30-16-7-12-20-22(15-16)34-27(38)29(20)23(19-5-4-6-21(31)24(19)32)25(35-28(29)13-2-1-3-14-28)26(37)33-17-8-10-18(36)11-9-17/h4-7,12,15,17-18,23,25,35-36H,1-3,8-11,13-14H2,(H,33,37)(H,34,38)/t17-,18-,23-,25+,29+/s2
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2.90n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192195
PNG
(US9187441, 6D)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccccc1F)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H27ClFN3O4/c1-5-34-24(33)21-20(17-11-10-16(26)12-19(17)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-8-6-7-9-18(15)27/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
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3n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM31202
PNG
(JMC493432 Compound 8 | MI-63)
Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m1/s1
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3 -48.3n/an/an/an/an/a7.523



University of Michigan



Assay Description
The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...


Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192226
PNG
(US9187441, 7Q)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1c(F)c(F)cc(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H20ClF4N3O4/c1-23(2,3)30-21(33)20(16-11-5-4-10(24)6-15(11)29-19(16)22(34)35)31(9-32)8-12-17(27)13(25)7-14(26)18(12)28/h4-7,9,20,29H,8H2,1-3H3,(H,30,33)(H,34,35)
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3n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192227
PNG
(US9187441, 7R)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1c(F)cc(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C23H20ClF4N3O4/c1-23(2,3)30-21(33)20(16-11-5-4-10(24)6-15(11)29-19(16)22(34)35)31(9-32)8-12-13(25)7-14(26)18(28)17(12)27/h4-7,9,20,29H,8H2,1-3H3,(H,30,33)(H,34,35)
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3n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM192198
PNG
(US9187441, 6G)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cccc(F)c1F)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1/C25H26ClF2N3O4/c1-5-35-24(34)21-19(16-10-9-15(26)11-18(16)29-21)22(23(33)30-25(2,3)4)31(13-32)12-14-7-6-8-17(27)20(14)28/h6-11,13,22,29H,5,12H2,1-4H3,(H,30,33)
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3n/an/an/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)

More data for this
Ligand-Target Pair
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