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Compile Data Set for Download or QSAR

Found 5927 hits Enz. Inhib. hit(s) with Target = 'Casein Kinase I'   
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 II


(Homo sapiens (Human))
BDBM142829
PNG
(US8940736, 391)
Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C
Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)
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US Patent
n/an/a 0.0300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

More data for this
Ligand-Target Pair
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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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))
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...


Citation and Details
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...


Citation and Details
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))
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))
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 II


(Homo sapiens (Human))
BDBM142775
PNG
(US8940736, 7)
Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)
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n/an/a 0.0700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

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))
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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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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))
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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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 II


(Homo sapiens (Human))
BDBM142774
PNG
(US8940736, 6)
Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12
Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)
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n/an/a 0.0900n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

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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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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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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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 II


(Homo sapiens (Human))
BDBM142816
PNG
(US8940736, 281)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C23H24ClN10O6P/c1-39-23(35)30-15-4-5-33(11-18(15)40-41(36,37)38)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18H,2-5,11H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32)/t15-,18-/s2
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n/an/a 0.0900n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)

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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50069769
PNG
(CHEMBL3407555)
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)c1F)c1ccc(Cl)cc1
Show InChI InChI=1/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-23(17-8-9-17)33-26(18-10-12-19(30)13-11-18)21(20-6-5-7-22(31)25(20)32)14-29(4,27(33)36)15-24(34)35/h5-7,10-13,17,21,23,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,23-,26-,29-/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...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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...


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50008749
PNG
(CHEMBL3236356)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H38Cl2N2O5S/c1-33(2,3)44(42,43)20-29(21-8-9-21)38-30(22-10-13-25(35)14-11-22)28(23-6-5-7-26(36)16-23)18-34(4,32(38)41)17-27-15-12-24(19-37-27)31(39)40/h5-7,10-16,19,21,28-30H,8-9,17-18,20H2,1-4H3,(H,39,40)/t28-,29-,30-,34+/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...


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


(Homo sapiens (human))
BDBM50008748
PNG
(CHEMBL3236357)
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)c(F)c1
Show InChI InChI=1S/C33H37Cl2FN2O5S2/c1-32(2,3)45(42,43)18-27(19-8-9-19)38-30(21-10-11-25(35)26(36)13-21)24(20-6-5-7-22(34)12-20)15-33(4,31(38)41)16-28-37-17-23(44-28)14-29(39)40/h5-7,10-13,17,19,24,27,30H,8-9,14-16,18H2,1-4H3,(H,39,40)/t24-,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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


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


(Homo sapiens (human))
BDBM50008753
PNG
(CHEMBL3236358)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2nnn[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35Cl2N5O3S/c1-6-22(17-39(37,38)27(2,3)4)35-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(35)36)16-24-31-33-34-32-24/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,31,32,33,34)/t22-,23+,25+,28+/m0/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...


Citation and Details
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 GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


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


(Homo sapiens (human))
BDBM50008756
PNG
(CHEMBL3236361)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H35Cl2NO6S/c1-29(2,3)40(38,39)17-24(18-8-9-18)33-26(19-10-12-21(31)13-11-19)23(20-6-5-7-22(32)14-20)15-30(4,28(33)37)16-25(34)27(35)36/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,35,36)/t23-,24-,26-,30-/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...


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


(Homo sapiens (human))
BDBM50008760
PNG
(CHEMBL3236364)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H36Cl2N2O4S/c1-28(2,3)38(36,37)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)35)16-25(32)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H2,32,34)/t23-,24-,26-,29-/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...


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


(Homo sapiens (human))
BDBM50008762
PNG
(CHEMBL3236635)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27-,28-,30-,34-/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...


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


(Homo sapiens (human))
BDBM50008763
PNG
(CHEMBL3236636)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27+,28+,30+,34+/m0/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...


Citation and Details
More data for this
Ligand-Target Pair
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