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PubMed code 15780621

Compile data set for download or QSAR
Found 6 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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
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MMDB
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity between MDM2 and p53 protein in fluorescence peptide assay

Bioorg Med Chem Lett 15: 1857-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.018
BindingDB Entry DOI: 10.7270/Q21G0KRN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50160417
PNG
((S)-[(S)-7-Iodo-2,5-dioxo-3-(4-trifluoromethyl-phe...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(cc2)C(F)(F)F)C(=O)Nc2ccc(I)cc2C1=O)c1ccccc1
Show InChI InChI=1S/C24H16F3IN2O4/c25-24(26,27)15-8-6-14(7-9-15)19-21(31)29-18-11-10-16(28)12-17(18)22(32)30(19)20(23(33)34)13-4-2-1-3-5-13/h1-12,19-20H,(H,29,31)(H,33,34)/t19-,20-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity between MDM2 and p53 protein in fluorescence peptide assay

Bioorg Med Chem Lett 15: 1857-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.018
BindingDB Entry DOI: 10.7270/Q21G0KRN
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50163928
PNG
(5-{(S)-7-(2-Bromo-phenyl)-3-(4-chloro-phenyl)-4-[(...)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)C(=CC1=O)c1ccccc1Br)c1ccc(Cl)cc1 |c:22|
Show InChI InChI=1S/C30H27BrCl2N2O4/c1-19(20-9-13-22(32)14-10-20)35-27(36)18-26(24-6-2-3-7-25(24)31)34(17-5-4-8-28(37)38)30(39)29(35)21-11-15-23(33)16-12-21/h2-3,6-7,9-16,18-19,29H,4-5,8,17H2,1H3,(H,37,38)/t19-,29+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity between MDM2 and p53 protein in fluorescence peptide assay

Bioorg Med Chem Lett 15: 1857-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.018
BindingDB Entry DOI: 10.7270/Q21G0KRN
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50163925
PNG
(5-{(S)-3-(4-Chloro-phenyl)-4-[(R)-1-(4-chloro-phen...)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)C(=CC1=O)c1ccccc1)c1ccc(Cl)cc1 |c:22|
Show InChI InChI=1S/C30H28Cl2N2O4/c1-20(21-10-14-24(31)15-11-21)34-27(35)19-26(22-7-3-2-4-8-22)33(18-6-5-9-28(36)37)30(38)29(34)23-12-16-25(32)17-13-23/h2-4,7-8,10-17,19-20,29H,5-6,9,18H2,1H3,(H,36,37)/t20-,29+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity between MDM2 and p53 protein in fluorescence peptide assay

Bioorg Med Chem Lett 15: 1857-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.018
BindingDB Entry DOI: 10.7270/Q21G0KRN
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50163927
PNG
(CHEMBL425528 | [(3-Iodo-benzoyl)-(4-trifluoromethy...)
Show SMILES OC(=O)C(N(Cc1ccc(cc1)C(F)(F)F)C(=O)c1cccc(I)c1)c1ccccc1
Show InChI InChI=1S/C23H17F3INO3/c24-23(25,26)18-11-9-15(10-12-18)14-28(21(29)17-7-4-8-19(27)13-17)20(22(30)31)16-5-2-1-3-6-16/h1-13,20H,14H2,(H,30,31)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity between MDM2 and p53 protein in fluorescence peptide assay

Bioorg Med Chem Lett 15: 1857-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.018
BindingDB Entry DOI: 10.7270/Q21G0KRN
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50163926
PNG
((E)-N-[(S)-Carbamoyl-(4-chloro-phenyl)-methyl]-N-[...)
Show SMILES C[C@@H](N([C@H](C(N)=O)c1ccc(Cl)cc1)C(=O)\C=C\c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22Cl2N2O2/c1-17(19-8-12-21(26)13-9-19)29(23(30)16-7-18-5-3-2-4-6-18)24(25(28)31)20-10-14-22(27)15-11-20/h2-17,24H,1H3,(H2,28,31)/b16-7+/t17-,24+/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity between MDM2 and p53 protein in fluorescence peptide assay

Bioorg Med Chem Lett 15: 1857-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.018
BindingDB Entry DOI: 10.7270/Q21G0KRN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%