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Compile Data Set for Download or QSAR

Found 3441 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I/MDM2'   
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))
BDBM129810
PNG
(US8815926, 89)
Show SMILES COc1ccc(CO)cc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C30H29Cl2N3O3/c1-16(2)34-28-26(33-29(34)23-13-19(15-36)7-11-25(23)38-5)30(37)35(24-14-21(32)8-6-17(24)3)27(28)22-10-9-20(31)12-18(22)4/h6-14,16,27,36H,15H2,1-5H3/t27-/m0/s1
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US Patent
n/an/a 0.0400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129937
PNG
(US8815926, 218)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NCCO
Show InChI InChI=1S/C32H32Cl2N4O4/c1-17(2)37-29-27(36-30(37)24-15-20(7-11-26(24)42-5)31(40)35-12-13-39)32(41)38(25-16-22(34)8-6-18(25)3)28(29)23-10-9-21(33)14-19(23)4/h6-11,14-17,28,39H,12-13H2,1-5H3,(H,35,40)/t28-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM130042
PNG
(US8815926, 325)
Show SMILES COC[C@@H](C)n1c(nc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1)-c1cnc(nc1OC)N(C)C
Show InChI InChI=1S/C28H29Cl2N7O4/c1-15(14-40-5)36-23-21(32-24(36)19-12-31-28(34(2)3)33-25(19)41-6)27(39)37(18-11-20(30)26(38)35(4)13-18)22(23)16-7-9-17(29)10-8-16/h7-13,15,22H,14H2,1-6H3/t15-,22+/m1/s1
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n/an/a 0.0590n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM50053046
PNG
(CHEMBL3318761)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)NC2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1/C28H32Cl2N2O5S/c1-28(15-25(33)34)14-23(19-3-2-4-21(30)13-19)26(18-7-9-20(29)10-8-18)32(27(28)35)24(17-5-6-17)16-38(36,37)31-22-11-12-22/h2-4,7-10,13,17,22-24,26,31H,5-6,11-12,14-16H2,1H3,(H,33,34)/t23-,24-,26-,28-/s2
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n/an/a 0.0590n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM50053225
PNG
(CHEMBL3318783)
Show SMILES CC(C)(C)[C@@H](CS(=O)(=O)N1CCS(=O)(=O)CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C30H38Cl2N2O7S2/c1-29(2,3)25(19-43(40,41)33-12-14-42(38,39)15-13-33)34-27(20-8-10-22(31)11-9-20)24(21-6-5-7-23(32)16-21)17-30(4,28(34)37)18-26(35)36/h5-11,16,24-25,27H,12-15,17-19H2,1-4H3,(H,35,36)/t24-,25-,27-,30-/s2
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n/an/a 0.0590n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM143673
PNG
(US8969341, 180)
Show SMILES COc1nc(ncc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c[nH]c1=O)N(C)C
Show InChI InChI=1/C26H25Cl2N7O3/c1-13(2)21-19-20(32-35(21)18-12-30-26(33(3)4)31-24(18)38-5)25(37)34(17-10-16(28)11-29-23(17)36)22(19)14-6-8-15(27)9-7-14/h6-13,22H,1-5H3,(H,29,36)/t22-/s2
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n/an/a 0.0680n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)

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


(Homo sapiens (human))
BDBM129738
PNG
(US8815926, 17)
Show SMILES COc1ccc(CNC(C)=O)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)37-30-28(36-31(37)25-14-21(16-35-20(5)39)8-12-27(25)41-6)32(40)38(26-15-23(34)9-7-18(26)3)29(30)24-11-10-22(33)13-19(24)4/h7-15,17,29H,16H2,1-6H3,(H,35,39)
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n/an/a 0.0700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129796
PNG
(US8815926, 75)
Show SMILES COc1ncc(-c2nc3C(=O)N([C@H](c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)ccc2C)c(OC)n1
Show InChI InChI=1S/C28H27Cl2N5O3/c1-14(2)34-24-22(32-25(34)20-13-31-28(38-6)33-26(20)37-5)27(36)35(21-12-18(30)8-7-15(21)3)23(24)19-10-9-17(29)11-16(19)4/h7-14,23H,1-6H3/t23-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129730
PNG
(US8815926, 9)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)37-29-27(35-30(37)24-15-20(31(39)36(5)6)9-13-26(24)41-7)32(40)38(25-16-22(34)10-8-18(25)3)28(29)23-12-11-21(33)14-19(23)4/h8-17,28H,1-7H3
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n/an/a 0.0700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM50053053
PNG
(CHEMBL3318768)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)Nc2ccccc2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1/C31H32Cl2N2O5S/c1-31(18-28(36)37)17-26(22-6-5-7-24(33)16-22)29(21-12-14-23(32)15-13-21)35(30(31)38)27(20-10-11-20)19-41(39,40)34-25-8-3-2-4-9-25/h2-9,12-16,20,26-27,29,34H,10-11,17-19H2,1H3,(H,36,37)/t26-,27-,29-,31-/s2
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n/an/a 0.0710n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM50053223
PNG
(CHEMBL3318781)
Show SMILES CN1CCN(CC1)S(=O)(=O)C[C@@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1/C31H41Cl2N3O5S/c1-30(2,3)26(20-42(40,41)35-15-13-34(5)14-16-35)36-28(21-9-11-23(32)12-10-21)25(22-7-6-8-24(33)17-22)18-31(4,29(36)39)19-27(37)38/h6-12,17,25-26,28H,13-16,18-20H2,1-5H3,(H,37,38)/t25-,26-,28-,31-/s2
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n/an/a 0.0740n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM50053056
PNG
(CHEMBL3318771)
Show SMILES CCN(c1ccccc1)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C33H36Cl2N2O5S/c1-3-36(27-10-5-4-6-11-27)43(41,42)21-29(22-12-13-22)37-31(23-14-16-25(34)17-15-23)28(24-8-7-9-26(35)18-24)19-33(2,32(37)40)20-30(38)39/h4-11,14-18,22,28-29,31H,3,12-13,19-21H2,1-2H3,(H,38,39)/t28-,29-,31-,33-/s2
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n/an/a 0.0750n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM50053044
PNG
(CHEMBL3318756)
Show SMILES CCNS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C27H32Cl2N2O5S/c1-3-30-37(35,36)16-23(17-7-8-17)31-25(18-9-11-20(28)12-10-18)22(19-5-4-6-21(29)13-19)14-27(2,26(31)34)15-24(32)33/h4-6,9-13,17,22-23,25,30H,3,7-8,14-16H2,1-2H3,(H,32,33)/t22-,23-,25-,27-/s2
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n/an/a 0.0790n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM129945
PNG
(US8815926, 226)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NC(C)C
Show InChI InChI=1S/C33H34Cl2N4O3/c1-17(2)36-32(40)21-9-13-27(42-7)25(15-21)31-37-28-30(38(31)18(3)4)29(24-12-11-22(34)14-20(24)6)39(33(28)41)26-16-23(35)10-8-19(26)5/h8-18,29H,1-7H3,(H,36,40)/t29-/m0/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129966
PNG
(US8815926, 247)
Show SMILES COc1nc(ncc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1F)N(C)C
Show InChI InChI=1S/C28H24ClF2N7O2/c1-14(2)37-24-22(34-25(37)17-13-33-28(36(3)4)35-26(17)40-5)27(39)38(20-8-6-7-18(29)21(20)31)23(24)15-9-10-16(12-32)19(30)11-15/h6-11,13-14,23H,1-5H3
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129947
PNG
(US8815926, 228)
Show SMILES COc1ccc(CNC(=O)CO)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C32H32Cl2N4O4/c1-17(2)37-30-28(36-31(37)24-13-20(7-11-26(24)42-5)15-35-27(40)16-39)32(41)38(25-14-22(34)8-6-18(25)3)29(30)23-10-9-21(33)12-19(23)4/h6-14,17,29,39H,15-16H2,1-5H3,(H,35,40)
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129892
PNG
(US8815926, 173)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C28H23Cl2FN4O3/c1-14(2)34-25-23(33-27(34)19-12-16(26(32)36)6-11-22(19)38-3)28(37)35(18-9-10-21(31)20(30)13-18)24(25)15-4-7-17(29)8-5-15/h4-14,24H,1-3H3,(H2,32,36)
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Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM130000
PNG
(US8815926, 281)
Show SMILES COc1nc(ncc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)cn(C)c1=O)N(C)C
Show InChI InChI=1S/C27H27Cl2N7O3/c1-14(2)35-22-20(31-23(35)18-12-30-27(33(3)4)32-24(18)39-6)26(38)36(19-11-17(29)13-34(5)25(19)37)21(22)15-7-9-16(28)10-8-15/h7-14,21H,1-6H3/t21-/m0/s1
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n/an/a 0.0810n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM50053042
PNG
(CHEMBL3318758)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)NCC2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1/C29H34Cl2N2O5S/c1-29(15-26(34)35)14-24(21-3-2-4-23(31)13-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)17-39(37,38)32-16-18-5-6-18/h2-4,9-13,18-19,24-25,27,32H,5-8,14-17H2,1H3,(H,34,35)/t24-,25-,27-,29-/s2
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n/an/a 0.0810n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM50053047
PNG
(CHEMBL3318762)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)NC2CCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1/C29H34Cl2N2O5S/c1-29(16-26(34)35)15-24(20-4-2-5-22(31)14-20)27(19-10-12-21(30)13-11-19)33(28(29)36)25(18-8-9-18)17-39(37,38)32-23-6-3-7-23/h2,4-5,10-14,18,23-25,27,32H,3,6-9,15-17H2,1H3,(H,34,35)/t24-,25-,27-,29-/s2
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n/an/a 0.0860n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM50053224
PNG
(CHEMBL3318782)
Show SMILES CC(C)(C)[C@@H](CS(=O)(=O)N1CCNCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C30H39Cl2N3O5S/c1-29(2,3)25(19-41(39,40)34-14-12-33-13-15-34)35-27(20-8-10-22(31)11-9-20)24(21-6-5-7-23(32)16-21)17-30(4,28(35)38)18-26(36)37/h5-11,16,24-25,27,33H,12-15,17-19H2,1-4H3,(H,36,37)/t24-,25-,27-,30-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM130035
PNG
(US8815926, 317)
Show SMILES COC[C@@H](C)n1c(nc2C(=O)N([C@H](c12)c1ccc(Cl)cc1)c1ccc(F)c(Cl)c1)-c1cnc(OC)nc1OC
Show InChI InChI=1S/C27H24Cl2FN5O4/c1-14(13-37-2)34-23-21(32-24(34)18-12-31-27(39-4)33-25(18)38-3)26(36)35(17-9-10-20(30)19(29)11-17)22(23)15-5-7-16(28)8-6-15/h5-12,14,22H,13H2,1-4H3/t14-,22+/m1/s1
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n/an/a 0.0890n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129838
PNG
(US8815926, 117)
Show SMILES COc1ncc(-c2nc3C(=O)N(C(c3n2[C@H](C)CO)c2ccc(Cl)cc2)c2cc(Cl)ccc2C)c(OC)n1
Show InChI InChI=1S/C27H25Cl2N5O4/c1-14-5-8-18(29)11-20(14)34-22(16-6-9-17(28)10-7-16)23-21(26(34)36)31-24(33(23)15(2)13-35)19-12-30-27(38-4)32-25(19)37-3/h5-12,15,22,35H,13H2,1-4H3/t15-,22?/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129737
PNG
(US8815926, 16)
Show SMILES COc1ccc(CN)cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C30H30Cl2N4O2/c1-16(2)35-28-26(34-29(35)23-13-19(15-33)7-11-25(23)38-5)30(37)36(24-14-21(32)8-6-17(24)3)27(28)22-10-9-20(31)12-18(22)4/h6-14,16,27H,15,33H2,1-5H3
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129928
PNG
(US8815926, 209)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(=O)NC(C)C
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)35-31(39)21-10-14-26(41-6)24(15-21)30-36-27-29(37(30)18(3)4)28(20-8-12-22(33)13-9-20)38(32(27)40)25-16-23(34)11-7-19(25)5/h7-18,28H,1-6H3,(H,35,39)
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM129942
PNG
(US8815926, 223)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N([C@H](c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C
Show InChI InChI=1S/C32H32Cl2N4O3/c1-17(2)37-29-27(35-30(37)24-15-20(31(39)36(5)6)9-13-26(24)41-7)32(40)38(25-16-22(34)10-8-18(25)3)28(29)23-12-11-21(33)14-19(23)4/h8-17,28H,1-7H3/t28-/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM50053049
PNG
(CHEMBL3318764)
Show SMILES CC(C)(C)NS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C29H36Cl2N2O5S/c1-28(2,3)32-39(37,38)17-24(18-8-9-18)33-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(33)36)16-25(34)35/h5-7,10-14,18,23-24,26,32H,8-9,15-17H2,1-4H3,(H,34,35)/t23-,24-,26-,29-/s2
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n/an/a 0.0910n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM50053052
PNG
(CHEMBL3318767 | US9296736, 379)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCOCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1/C29H34Cl2N2O6S/c1-29(17-26(34)35)16-24(21-3-2-4-23(31)15-21)27(20-7-9-22(30)10-8-20)33(28(29)36)25(19-5-6-19)18-40(37,38)32-11-13-39-14-12-32/h2-4,7-10,15,19,24-25,27H,5-6,11-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/s2
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n/an/a 0.0960n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM143676
PNG
(US8969341, 183)
Show SMILES COc1nc(ncc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)c[nH]c1=O)N(C)C
Show InChI InChI=1/C27H25ClN8O3/c1-14(2)22-20-21(33-36(22)19-13-31-27(34(3)4)32-25(19)39-5)26(38)35(18-10-17(28)12-30-24(18)37)23(20)16-8-6-15(11-29)7-9-16/h6-10,12-14,23H,1-5H3,(H,30,37)/t23-/s2
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n/an/a 0.0970n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)

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


(Homo sapiens (human))
BDBM50053040
PNG
(CHEMBL3318760 | US9296736, 378)
Show SMILES CC(C)NS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C28H34Cl2N2O5S/c1-17(2)31-38(36,37)16-24(18-7-8-18)32-26(19-9-11-21(29)12-10-19)23(20-5-4-6-22(30)13-20)14-28(3,27(32)35)15-25(33)34/h4-6,9-13,17-18,23-24,26,31H,7-8,14-16H2,1-3H3,(H,33,34)/t23-,24-,26-,28-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)

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


(Homo sapiens (human))
BDBM50069784
PNG
(CHEMBL3407569)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)NC23CCC(CC2)(CC3)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C38H48Cl2N2O6S/c1-35(2,3)49(47,48)23-30(24-8-9-24)42-32(25-10-12-27(39)13-11-25)29(26-6-5-7-28(40)20-26)21-36(4,33(42)44)22-31(43)41-38-17-14-37(15-18-38,16-19-38)34(45)46/h5-7,10-13,20,24,29-30,32H,8-9,14-19,21-23H2,1-4H3,(H,41,43)(H,45,46)/t29-,30-,32-,36-,37?,38?/s2
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n/an/a<0.100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)

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


(Homo sapiens (human))
BDBM129894
PNG
(US8815926, 175)
Show SMILES COc1ccc(cc1-c1nc2C(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)ccc1C)C(N)=O
Show InChI InChI=1S/C29H26Cl2N4O3/c1-15(2)34-26-24(33-28(34)21-13-18(27(32)36)8-12-23(21)38-4)29(37)35(22-14-20(31)9-5-16(22)3)25(26)17-6-10-19(30)11-7-17/h5-15,25H,1-4H3,(H2,32,36)
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n/an/a 0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8815926 (2014)

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


(Homo sapiens (human))
BDBM144636
PNG
(US8952036, Ex. 4)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-24(17-8-9-17)33-26(19-10-11-22(31)23(32)13-19)21(18-6-5-7-20(30)12-18)14-29(4,27(33)36)15-25(34)35/h5-7,10-13,17,21,24,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,24-,26-,29-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)

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


(Homo sapiens (human))
BDBM50448963
PNG
(CHEMBL3125537 | US9296736, 351)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)

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


(Homo sapiens (human))
BDBM50448942
PNG
(CHEMBL3125520 | US9296736, 382)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C28H32Cl2N2O5S/c1-28(16-25(33)34)15-23(20-4-2-5-22(30)14-20)26(19-8-10-21(29)11-9-19)32(27(28)35)24(18-6-7-18)17-38(36,37)31-12-3-13-31/h2,4-5,8-11,14,18,23-24,26H,3,6-7,12-13,15-17H2,1H3,(H,33,34)/t23-,24-,26-,28-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50448945
PNG
(CHEMBL3125521 | US9296736, 381)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(17-26(34)35)16-24(21-5-4-6-23(31)15-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)18-39(37,38)32-13-2-3-14-32/h4-6,9-12,15,19,24-25,27H,2-3,7-8,13-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50448955
PNG
(CHEMBL3125701 | US9296736, 354)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(C)(=O)=O)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H29Cl2NO5S/c1-26(14-23(30)31)13-21(18-4-3-5-20(28)12-18)24(17-8-10-19(27)11-9-17)29(25(26)32)22(16-6-7-16)15-35(2,33)34/h3-5,8-12,16,21-22,24H,6-7,13-15H2,1-2H3,(H,30,31)/t21-,22-,24-,26-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50448958
PNG
(CHEMBL3125698)
Show SMILES CC(C)S(=O)(=O)C[C@H](C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35Cl2NO5S/c1-18(2)38(36,37)17-25(19-6-4-7-19)32-27(20-10-12-22(30)13-11-20)24(21-8-5-9-23(31)14-21)15-29(3,28(32)35)16-26(33)34/h5,8-14,18-19,24-25,27H,4,6-7,15-17H2,1-3H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50448962
PNG
(CHEMBL3125538)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H37Cl2NO5S/c1-29(2,3)39(37,38)18-25(19-7-5-8-19)33-27(20-11-13-22(31)14-12-20)24(21-9-6-10-23(32)15-21)16-30(4,28(33)36)17-26(34)35/h6,9-15,19,24-25,27H,5,7-8,16-18H2,1-4H3,(H,34,35)/t24-,25-,27-,30-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50448963
PNG
(CHEMBL3125537 | US9296736, 351)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50448936
PNG
(CHEMBL3125527 | US9296736, 342)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50448966
PNG
(CHEMBL3125534)
Show SMILES C[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33Cl2NO5S/c1-17(16-36(34,35)26(2,3)4)30-24(18-9-11-20(28)12-10-18)22(19-7-6-8-21(29)13-19)14-27(5,25(30)33)15-23(31)32/h6-13,17,22,24H,14-16H2,1-5H3,(H,31,32)/t17-,22+,24+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50448967
PNG
(CHEMBL3125533)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](CC(F)(F)F)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32Cl2F3NO5S/c1-26(2,3)40(38,39)16-21(13-28(31,32)33)34-24(17-8-10-19(29)11-9-17)22(18-6-5-7-20(30)12-18)14-27(4,25(34)37)15-23(35)36/h5-12,21-22,24H,13-16H2,1-4H3,(H,35,36)/t21-,22+,24+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)

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


(Homo sapiens (human))
BDBM50008778
PNG
(CHEMBL3236651)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cn2cc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H37Cl2N3O5S/c1-31(2,3)43(41,42)18-27(20-8-9-20)37-28(21-10-12-24(33)13-11-21)26(22-6-5-7-25(34)14-22)15-32(4,30(37)40)19-36-17-23(16-35-36)29(38)39/h5-7,10-14,16-17,20,26-28H,8-9,15,18-19H2,1-4H3,(H,38,39)/t26-,27-,28-,32-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2963-88 (2014)

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


(Homo sapiens (human))
BDBM50008806
PNG
(CHEMBL3236653)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H36Cl2N2O5S2/c1-31(2,3)43(40,41)18-25(19-8-9-19)36-28(20-10-12-22(33)13-11-20)24(21-6-5-7-23(34)14-21)15-32(4,30(36)39)16-27-35-17-26(42-27)29(37)38/h5-7,10-14,17,19,24-25,28H,8-9,15-16,18H2,1-4H3,(H,37,38)/t24-,25-,28-,32-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2963-88 (2014)

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


(Homo sapiens (human))
BDBM50008766
PNG
(CHEMBL3236654)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-26(20-8-9-20)37-30(21-10-12-23(34)13-11-21)25(22-6-5-7-24(35)14-22)15-33(4,31(37)40)16-29-36-17-28(43-29)27(39)18-38/h5-7,10-14,17,20,25-26,30,38H,8-9,15-16,18-19H2,1-4H3/t25-,26-,30-,33-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2963-88 (2014)

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


(Homo sapiens (human))
BDBM50008808
PNG
(CHEMBL3236655)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C32H35Cl2FN2O5S2/c1-31(2,3)44(41,42)17-25(18-8-9-18)37-28(20-10-11-23(34)24(35)13-20)22(19-6-5-7-21(33)12-19)14-32(4,30(37)40)15-27-36-16-26(43-27)29(38)39/h5-7,10-13,16,18,22,25,28H,8-9,14-15,17H2,1-4H3,(H,38,39)/t22-,25-,28-,32-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2963-88 (2014)

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


(Homo sapiens (human))
BDBM50008810
PNG
(CHEMBL3236657)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)s2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H38Cl2N2O5S2/c1-32(2,3)44(41,42)19-27(20-8-9-20)37-30(21-10-12-23(34)13-11-21)26(22-6-5-7-24(35)14-22)16-33(4,31(37)40)17-28-36-18-25(43-28)15-29(38)39/h5-7,10-14,18,20,26-27,30H,8-9,15-17,19H2,1-4H3,(H,38,39)/t26-,27-,30-,33-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2963-88 (2014)

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


(Homo sapiens (human))
BDBM50008813
PNG
(CHEMBL3236660)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(F)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C33H36Cl2F2N2O5S2/c1-32(2,3)46(43,44)17-25(18-8-9-18)39-29(20-10-11-23(35)24(36)13-20)22(19-6-5-7-21(34)12-19)14-33(4,31(39)42)15-27-38-16-26(45-27)28(37)30(40)41/h5-7,10-13,16,18,22,25,28-29H,8-9,14-15,17H2,1-4H3,(H,40,41)/t22-,25-,28?,29-,33-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2963-88 (2014)

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


(Homo sapiens (human))
BDBM50008814
PNG
(CHEMBL3236661)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(F)(F)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C33H35Cl2F3N2O5S2/c1-31(2,3)47(44,45)17-25(18-8-9-18)40-28(20-10-11-23(35)24(36)13-20)22(19-6-5-7-21(34)12-19)14-32(4,29(40)41)15-27-39-16-26(46-27)33(37,38)30(42)43/h5-7,10-13,16,18,22,25,28H,8-9,14-15,17H2,1-4H3,(H,42,43)/t22-,25-,28-,32-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2963-88 (2014)

More data for this
Ligand-Target Pair
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