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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'toteva' and Initial = 'm'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Smoothened homolog


(Mus musculus)		BDBM50320369
PNG
((R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phth...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H23F3N4O/c1-18-17-33(26(35)20-7-3-2-4-8-20)15-16-34(18)25-23-10-6-5-9-22(23)24(31-32-25)19-11-13-21(14-12-19)27(28,29)30/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene ...

Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448936
PNG
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)
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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase 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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448963
PNG
(CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...)
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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase 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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase 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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase 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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448955
PNG
(CHEMBL3125701 | US9296736, 354 | US9593129, Exampl...)
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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448945
PNG
(CHEMBL3125521 | US9296736, 381 | US9593129, Exampl...)
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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448942
PNG
(CHEMBL3125520 | US9296736, 382 | US9593129, Exampl...)
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 |r|
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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448937
PNG
(CHEMBL3125526 | US9296736, 341 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H33Cl2NO5S/c1-5-22(16-36(34,35)17(2)3)30-25(18-9-11-20(28)12-10-18)23(19-7-6-8-21(29)13-19)14-27(4,26(30)33)15-24(31)32/h6-13,17,22-23,25H,5,14-16H2,1-4H3,(H,31,32)/t22-,23+,25+,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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448970
PNG
(CHEMBL3125518 | US9296736, 295 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CN(C)S(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H36Cl2N2O5S/c1-18(2)25(17-32(4)39(37,38)23-12-13-23)33-27(19-8-10-21(30)11-9-19)24(20-6-5-7-22(31)14-20)15-29(3,28(33)36)16-26(34)35/h5-11,14,18,23-25,27H,12-13,15-17H2,1-4H3,(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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448934
PNG
(CHEMBL3125529 | US9296736, 343 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-22(17-37(35,36)23-8-5-9-23)31-26(18-10-12-20(29)13-11-18)24(19-6-4-7-21(30)14-19)15-28(2,27(31)34)16-25(32)33/h4,6-7,10-14,22-24,26H,3,5,8-9,15-17H2,1-2H3,(H,32,33)/t22-,24+,26+,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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448969
PNG
(CHEMBL3125517 | US9296736, 256 | US9593129, Exampl...)
Show SMILES CN(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(16-26(34)35)15-24(20-4-3-5-22(31)14-20)27(19-8-10-21(30)11-9-19)33(28(29)36)25(18-6-7-18)17-32(2)39(37,38)23-12-13-23/h3-5,8-11,14,18,23-25,27H,6-7,12-13,15-17H2,1-2H3,(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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448938
PNG
(CHEMBL3125525 | US9296736, 340 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl2NO5S/c1-3-21(16-36(34,35)22-11-12-22)30-25(17-7-9-19(28)10-8-17)23(18-5-4-6-20(29)13-18)14-27(2,26(30)33)15-24(31)32/h4-10,13,21-23,25H,3,11-12,14-16H2,1-2H3,(H,31,32)/t21-,23+,25+,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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448959
PNG
(CHEMBL3125697 | US9296736, 350 | US9593129, Exampl...)
Show SMILES CC(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 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-17(2)37(35,36)16-24(18-7-8-18)31-26(19-9-11-21(29)12-10-19)23(20-5-4-6-22(30)13-20)14-28(3,27(31)34)15-25(32)33/h4-6,9-13,17-18,23-24,26H,7-8,14-16H2,1-3H3,(H,32,33)/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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448932
PNG
(CHEMBL3125531 | US9296736, 307 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1COC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl2NO6S/c1-3-21(16-37(34,35)22-14-36-15-22)30-25(17-7-9-19(28)10-8-17)23(18-5-4-6-20(29)11-18)12-27(2,26(30)33)13-24(31)32/h4-11,21-23,25H,3,12-16H2,1-2H3,(H,31,32)/t21-,23+,25+,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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448961
PNG
(CHEMBL3125539)
Show SMILES CC(C)S(=O)(=O)C[C@H](C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-16(2)35(33,34)15-17(3)29-24(18-8-10-20(27)11-9-18)22(19-6-5-7-21(28)12-19)13-26(4,25(29)32)14-23(30)31/h5-12,16-17,22,24H,13-15H2,1-4H3,(H,30,31)/t17-,22+,24+,26+/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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448935
PNG
(CHEMBL3125528 | US9296736, 304 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)CC1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-23(17-37(35,36)16-18-7-8-18)31-26(19-9-11-21(29)12-10-19)24(20-5-4-6-22(30)13-20)14-28(2,27(31)34)15-25(32)33/h4-6,9-13,18,23-24,26H,3,7-8,14-17H2,1-2H3,(H,32,33)/t23-,24+,26+,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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448948
PNG
(CHEMBL3125519 | US9296736, 377 | US9593129, Exampl...)
Show SMILES CN(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 |r|
Show InChI InChI=1S/C27H32Cl2N2O5S/c1-27(15-24(32)33)14-22(19-5-4-6-21(29)13-19)25(18-9-11-20(28)12-10-18)31(26(27)34)23(17-7-8-17)16-37(35,36)30(2)3/h4-6,9-13,17,22-23,25H,7-8,14-16H2,1-3H3,(H,32,33)/t22-,23-,25-,27-/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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448933
PNG
(CHEMBL3125530 | US9296736, 306 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1CCCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35Cl2NO5S/c1-3-23(18-38(36,37)24-9-4-5-10-24)32-27(19-11-13-21(30)14-12-19)25(20-7-6-8-22(31)15-20)16-29(2,28(32)35)17-26(33)34/h6-8,11-15,23-25,27H,3-5,9-10,16-18H2,1-2H3,(H,33,34)/t23-,25+,27+,29+/m0/s1
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n/an/a 0.300n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448941
PNG
(CHEMBL3125522 | US9296736, 301 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H29Cl2NO5S/c1-4-20(15-34(3,32)33)28-23(16-8-10-18(26)11-9-16)21(17-6-5-7-19(27)12-17)13-25(2,24(28)31)14-22(29)30/h5-12,20-21,23H,4,13-15H2,1-3H3,(H,29,30)/t20-,21+,23+,25+/m0/s1
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n/an/a 0.300n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448931
PNG
(CHEMBL3125532)
Show SMILES CC[C@@H](CS(=O)(=O)c1ccccc1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31Cl2NO5S/c1-3-24(19-39(37,38)25-10-5-4-6-11-25)33-28(20-12-14-22(31)15-13-20)26(21-8-7-9-23(32)16-21)17-30(2,29(33)36)18-27(34)35/h4-16,24,26,28H,3,17-19H2,1-2H3,(H,34,35)/t24-,26+,28+,30+/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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448939
PNG
(CHEMBL3125524 | US9296736, 339 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-4-21(16-35(33,34)5-2)29-24(17-9-11-19(27)12-10-17)22(18-7-6-8-20(28)13-18)14-26(3,25(29)32)15-23(30)31/h6-13,21-22,24H,4-5,14-16H2,1-3H3,(H,30,31)/t21-,22+,24+,26+/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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448956
PNG
(CHEMBL3125700 | US9296736, 338 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-16(2)22(15-35(4,33)34)29-24(17-8-10-19(27)11-9-17)21(18-6-5-7-20(28)12-18)13-26(3,25(29)32)14-23(30)31/h5-12,16,21-22,24H,13-15H2,1-4H3,(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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448960
PNG
(CHEMBL3125540 | US9296736, 365 | US9593129, Exampl...)
Show SMILES CC(C)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 |r|
Show InChI InChI=1S/C29H37Cl2NO5S/c1-18(2)38(36,37)17-24(28(3,4)5)32-26(19-10-12-21(30)13-11-19)23(20-8-7-9-22(31)14-20)15-29(6,27(32)35)16-25(33)34/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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n/an/a 0.400n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))		BDBM50320340
PNG
((R)-(3-methyl-4-(4-p-tolylphthalazin-1-yl)piperazi...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(C)cc2)c2ccccc12)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H26N4O/c1-19-12-14-21(15-13-19)25-23-10-6-7-11-24(23)26(29-28-25)31-17-16-30(18-20(31)2)27(32)22-8-4-3-5-9-22/h3-15,20H,16-18H2,1-2H3/t20-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells

Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448951
PNG
(CHEMBL3125706)
Show SMILES CC[C@@H](C[C@@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO4/c1-4-21(12-16(2)30)29-24(17-8-10-19(27)11-9-17)22(18-6-5-7-20(28)13-18)14-26(3,25(29)33)15-23(31)32/h5-11,13,16,21-22,24,30H,4,12,14-15H2,1-3H3,(H,31,32)/t16-,21+,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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448964
PNG
(CHEMBL3125536)
Show SMILES CC(C)(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 |r|
Show InChI InChI=1S/C30H39Cl2NO5S/c1-28(2,3)24(18-39(37,38)29(4,5)6)33-26(19-11-13-21(31)14-12-19)23(20-9-8-10-22(32)15-20)16-30(7,27(33)36)17-25(34)35/h8-15,23-24,26H,16-18H2,1-7H3,(H,34,35)/t23-,24-,26-,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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448971
PNG
(CHEMBL3125514)
Show SMILES CC[C@@H](CNS(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32Cl2N2O5S/c1-3-21(16-30-37(35,36)22-11-12-22)31-25(17-7-9-19(28)10-8-17)23(18-5-4-6-20(29)13-18)14-27(2,26(31)34)15-24(32)33/h4-10,13,21-23,25,30H,3,11-12,14-16H2,1-2H3,(H,32,33)/t21-,23+,25+,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)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448947
PNG
(CHEMBL3125702 | US9296736, 362 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
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n/an/a 0.600n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448965
PNG
(CHEMBL3125535 | US9296736, 337 | US9593129, Exampl...)
Show SMILES CC(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 |r|
Show InChI InChI=1S/C29H37Cl2NO5S/c1-18(2)24(17-38(36,37)28(3,4)5)32-26(19-10-12-21(30)13-11-19)23(20-8-7-9-22(31)14-20)15-29(6,27(32)35)16-25(33)34/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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n/an/a 0.600n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448943
PNG
(CHEMBL3125710 | US9296736, 129)
Show SMILES CC[C@@H](CNS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H30Cl2N2O5S/c1-4-20(15-28-35(3,33)34)29-23(16-8-10-18(26)11-9-16)21(17-6-5-7-19(27)12-17)13-25(2,24(29)32)14-22(30)31/h5-12,20-21,23,28H,4,13-15H2,1-3H3,(H,30,31)/t20-,21+,23+,25+/m0/s1
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n/an/a 0.700n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))		BDBM50320341
PNG
((R)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H23ClN4O/c1-18-17-30(26(32)20-7-3-2-4-8-20)15-16-31(18)25-23-10-6-5-9-22(23)24(28-29-25)19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells

Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448950
PNG
(CHEMBL3125707)
Show SMILES CC[C@@H](C[C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO4/c1-4-21(12-16(2)30)29-24(17-8-10-19(27)11-9-17)22(18-6-5-7-20(28)13-18)14-26(3,25(29)33)15-23(31)32/h5-11,13,16,21-22,24,30H,4,12,14-15H2,1-3H3,(H,31,32)/t16-,21-,22+,24+,26+/m0/s1
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n/an/a 0.700n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448972
PNG
(CHEMBL3125515 | US9296736, 182 | US9593129, Exampl...)
Show SMILES CC[C@@H](CN(C)S(=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 |r|
Show InChI InChI=1S/C29H38Cl2N2O5S/c1-7-23(18-32(6)39(37,38)28(2,3)4)33-26(19-11-13-21(30)14-12-19)24(20-9-8-10-22(31)15-20)16-29(5,27(33)36)17-25(34)35/h8-15,23-24,26H,7,16-18H2,1-6H3,(H,34,35)/t23-,24+,26+,29+/m0/s1
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n/an/a 0.700n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)		BDBM50323147
PNG
((R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyri...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccncc12)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H22F3N5O/c1-17-16-33(25(35)19-5-3-2-4-6-19)13-14-34(17)24-22-15-30-12-11-21(22)23(31-32-24)18-7-9-20(10-8-18)26(27,28)29/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene ...

Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448957
PNG
(CHEMBL3125699)
Show SMILES C[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H27Cl2NO5S/c1-15(14-33(3,31)32)27-22(16-7-9-18(25)10-8-16)20(17-5-4-6-19(26)11-17)12-24(2,23(27)30)13-21(28)29/h4-11,15,20,22H,12-14H2,1-3H3,(H,28,29)/t15-,20+,22+,24+/m0/s1
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n/an/a 0.900n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448968
PNG
(CHEMBL3125516)
Show SMILES CC[C@@H](CN(C)S(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H34Cl2N2O5S/c1-4-22(17-31(3)38(36,37)23-12-13-23)32-26(18-8-10-20(29)11-9-18)24(19-6-5-7-21(30)14-19)15-28(2,27(32)35)16-25(33)34/h5-11,14,22-24,26H,4,12-13,15-17H2,1-3H3,(H,33,34)/t22-,24+,26+,28+/m0/s1
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n/an/a 0.900n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))		BDBM50323147
PNG
((R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyri...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccncc12)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H22F3N5O/c1-17-16-33(25(35)19-5-3-2-4-6-19)13-14-34(17)24-22-15-30-12-11-21(22)23(31-32-24)18-7-9-20(10-8-18)26(27,28)29/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay

Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448953
PNG
(CHEMBL3125704 | US9296736, 131)
Show SMILES CC[C@@H](CC(C)(C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H33Cl2NO4/c1-5-21(14-26(2,3)34)30-24(17-9-11-19(28)12-10-17)22(18-7-6-8-20(29)13-18)15-27(4,25(30)33)16-23(31)32/h6-13,21-22,24,34H,5,14-16H2,1-4H3,(H,31,32)/t21-,22+,24+,27+/m0/s1
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n/an/a 1n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50388626
PNG
(CHEMBL2059435 | US9296736, 152 | US9593129, Exampl...)
Show SMILES CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/m0/s1
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n/an/a 1.10n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448934
PNG
(CHEMBL3125529 | US9296736, 343 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-22(17-37(35,36)23-8-5-9-23)31-26(18-10-12-20(29)13-11-18)24(19-6-4-7-21(30)14-19)15-28(2,27(31)34)16-25(32)33/h4,6-7,10-14,22-24,26H,3,5,8-9,15-17H2,1-2H3,(H,32,33)/t22-,24+,26+,28+/m0/s1
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n/an/a 1.10n/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...

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448936
PNG
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)
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 |r|
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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n/an/a 1.10n/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...

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448949
PNG
(CHEMBL3125708)
Show SMILES CC[C@@H](CC#N)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H26Cl2N2O3/c1-3-20(11-12-28)29-23(16-7-9-18(26)10-8-16)21(17-5-4-6-19(27)13-17)14-25(2,24(29)32)15-22(30)31/h4-10,13,20-21,23H,3,11,14-15H2,1-2H3,(H,30,31)/t20-,21+,23+,25+/m0/s1
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n/an/a 1.20n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448946
PNG
(CHEMBL3125709 | US9593129, Example 150)
Show SMILES CC[C@@H](CC(C)(C)C#N)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H32Cl2N2O3/c1-5-22(14-27(2,3)17-31)32-25(18-9-11-20(29)12-10-18)23(19-7-6-8-21(30)13-19)15-28(4,26(32)35)16-24(33)34/h6-13,22-23,25H,5,14-16H2,1-4H3,(H,33,34)/t22-,23+,25+,28+/m0/s1
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n/an/a 1.20n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448932
PNG
(CHEMBL3125531 | US9296736, 307 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1COC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl2NO6S/c1-3-21(16-37(34,35)22-14-36-15-22)30-25(17-7-9-19(28)10-8-17)23(18-5-4-6-20(29)11-18)12-27(2,26(30)33)13-24(31)32/h4-11,21-23,25H,3,12-16H2,1-2H3,(H,31,32)/t21-,23+,25+,27+/m0/s1
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n/an/a 1.30n/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...

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448940
PNG
(CHEMBL3125523)
Show SMILES CC[C@@H](CCS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-4-21(12-13-35(3,33)34)29-24(17-8-10-19(27)11-9-17)22(18-6-5-7-20(28)14-18)15-26(2,25(29)32)16-23(30)31/h5-11,14,21-22,24H,4,12-13,15-16H2,1-3H3,(H,30,31)/t21-,22+,24+,26+/m0/s1
PDB
MMDB

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n/an/a 1.30n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448944
PNG
(CHEMBL3125513 | US9296736, 181 | US9593129, Exampl...)
Show SMILES CC[C@@H](CNS(=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 |r|
Show InChI InChI=1S/C28H36Cl2N2O5S/c1-6-22(17-31-38(36,37)27(2,3)4)32-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(32)35)16-24(33)34/h7-14,22-23,25,31H,6,15-17H2,1-5H3,(H,33,34)/t22-,23+,25+,28+/m0/s1
PDB
MMDB

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n/an/a 1.30n/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

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50448937
PNG
(CHEMBL3125526 | US9296736, 341 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H33Cl2NO5S/c1-5-22(16-36(34,35)17(2)3)30-25(18-9-11-20(28)12-10-18)23(19-7-6-8-21(29)13-19)14-27(4,26(30)33)15-24(31)32/h6-13,17,22-23,25H,5,14-16H2,1-4H3,(H,31,32)/t22-,23+,25+,27+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.40n/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...

J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
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