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PubMed code 27050782

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Translocator protein


(Rattus norvegicus (rat))		BDBM50180870
PNG
(CHEMBL179861)
Show SMILES CCC(C)NC(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C20H19ClN2O/c1-3-13(2)22-20(24)18-12-14-8-4-5-9-15(14)19(23-18)16-10-6-7-11-17(16)21/h4-13H,3H2,1-2H3,(H,22,24)
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PubMed
 3.60n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180868
PNG
(CHEMBL3818299)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C32H34N4O4/c1-20(2)18-25(30(38)33-3)35-31(39)26(19-21-12-6-4-7-13-21)36-32(40)29(37)27-23-16-10-11-17-24(23)34-28(27)22-14-8-5-9-15-22/h4-17,20,25-26,34H,18-19H2,1-3H3,(H,33,38)(H,35,39)(H,36,40)/t25-,26-/m0/s1
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 87n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180867
PNG
(CHEMBL3818586)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C28H33N3O5/c1-16(2)15-21(28(35)36-5)30-26(33)23(17(3)4)31-27(34)25(32)22-19-13-9-10-14-20(19)29-24(22)18-11-7-6-8-12-18/h6-14,16-17,21,23,29H,15H2,1-5H3,(H,30,33)(H,31,34)/t21-,23-/m0/s1
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 365n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180862
PNG
(CHEMBL3819416)
Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35N3O5/c1-4-41-33(40)27(20-22-13-7-5-8-14-22)36-31(38)26(19-21(2)3)35-32(39)30(37)28-24-17-11-12-18-25(24)34-29(28)23-15-9-6-10-16-23/h5-18,21,26-27,34H,4,19-20H2,1-3H3,(H,35,39)(H,36,38)/t26-,27-/m0/s1
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 430n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180869
PNG
(CHEMBL3819001)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)NC |r|
Show InChI InChI=1S/C32H34N4O4/c1-4-20(2)27(31(39)33-3)36-30(38)25(19-21-13-7-5-8-14-21)35-32(40)29(37)26-23-17-11-12-18-24(23)34-28(26)22-15-9-6-10-16-22/h5-18,20,25,27,34H,4,19H2,1-3H3,(H,33,39)(H,35,40)(H,36,38)/t20-,25-,27-/m0/s1
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 504n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180863
PNG
(CHEMBL3819071)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C28H33N3O5/c1-6-17(4)23(28(35)36-5)31-26(33)22(16(2)3)30-27(34)25(32)21-19-14-10-11-15-20(19)29-24(21)18-12-8-7-9-13-18/h7-17,22-23,29H,6H2,1-5H3,(H,30,34)(H,31,33)/t17-,22-,23-/m0/s1
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 783n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50180865
PNG
(CHEMBL3818951)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC |r|
Show InChI InChI=1S/C29H35N3O5/c1-6-17(3)23(27(34)32-24(18(4)7-2)29(36)37-5)31-28(35)26(33)22-20-15-11-12-16-21(20)30-25(22)19-13-9-8-10-14-19/h8-18,23-24,30H,6-7H2,1-5H3,(H,31,35)(H,32,34)/t17-,18-,23-,24-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50180868
PNG
(CHEMBL3818299)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C32H34N4O4/c1-20(2)18-25(30(38)33-3)35-31(39)26(19-21-12-6-4-7-13-21)36-32(40)29(37)27-23-16-10-11-17-24(23)34-28(27)22-14-8-5-9-15-22/h4-17,20,25-26,34H,18-19H2,1-3H3,(H,33,38)(H,35,39)(H,36,40)/t25-,26-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50180869
PNG
(CHEMBL3819001)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)NC |r|
Show InChI InChI=1S/C32H34N4O4/c1-4-20(2)27(31(39)33-3)36-30(38)25(19-21-13-7-5-8-14-21)35-32(40)29(37)26-23-17-11-12-18-24(23)34-28(26)22-15-9-6-10-16-22/h5-18,20,25,27,34H,4,19H2,1-3H3,(H,33,39)(H,35,40)(H,36,38)/t20-,25-,27-/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50180862
PNG
(CHEMBL3819416)
Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35N3O5/c1-4-41-33(40)27(20-22-13-7-5-8-14-22)36-31(38)26(19-21(2)3)35-32(39)30(37)28-24-17-11-12-18-25(24)34-29(28)23-15-9-6-10-16-23/h5-18,21,26-27,34H,4,19-20H2,1-3H3,(H,35,39)(H,36,38)/t26-,27-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50180865
PNG
(CHEMBL3818951)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC |r|
Show InChI InChI=1S/C29H35N3O5/c1-6-17(3)23(27(34)32-24(18(4)7-2)29(36)37-5)31-28(35)26(33)22-20-15-11-12-16-21(20)30-25(22)19-13-9-8-10-14-19/h8-18,23-24,30H,6-7H2,1-5H3,(H,31,35)(H,32,34)/t17-,18-,23-,24-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50180863
PNG
(CHEMBL3819071)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C28H33N3O5/c1-6-17(4)23(28(35)36-5)31-26(33)22(16(2)3)30-27(34)25(32)21-19-14-10-11-15-20(19)29-24(21)18-12-8-7-9-13-18/h7-17,22-23,29H,6H2,1-5H3,(H,30,34)(H,31,33)/t17-,22-,23-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50180867
PNG
(CHEMBL3818586)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C28H33N3O5/c1-16(2)15-21(28(35)36-5)30-26(33)23(17(3)4)31-27(34)25(32)22-19-13-9-10-14-20(19)29-24(22)18-11-7-6-8-12-18/h6-14,16-17,21,23,29H,15H2,1-5H3,(H,30,33)(H,31,34)/t21-,23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50180864
PNG
(CHEMBL3818934)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
Show InChI InChI=1S/C28H33N3O5/c1-6-17(4)23(26(33)30-22(16(2)3)28(35)36-5)31-27(34)25(32)21-19-14-10-11-15-20(19)29-24(21)18-12-8-7-9-13-18/h7-17,22-23,29H,6H2,1-5H3,(H,30,33)(H,31,34)/t17-,22-,23-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31197
PNG
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)
Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)
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n/an/a 105n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50180866
PNG
(CHEMBL3819467)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C28H33N3O5/c1-16(2)15-21(26(33)31-23(17(3)4)28(35)36-5)30-27(34)25(32)22-19-13-9-10-14-20(19)29-24(22)18-11-7-6-8-12-18/h6-14,16-17,21,23,29H,15H2,1-5H3,(H,30,34)(H,31,33)/t21-,23-/m0/s1
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n/an/a 155n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as...

J Med Chem 59: 4526-38 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%