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Compile Data Set for Download or QSAR

Found 6 hits of Enz. Inhib. data with enzyme = 'E3 ubiquitin-protein ligase Mdm2' and Substrate = 'BDBM10852'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM31273
PNG
(Chalcone derivative, A)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H13ClO4/c18-14-6-4-13(5-7-14)16(19)10-3-12-1-8-15(9-2-12)22-11-17(20)21/h1-10H,11H2,(H,20,21)/b10-3+
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
n/an/an/a 2.20E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31274
PNG
(Chalcone derivative, B)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H12Cl2O4/c18-14-7-4-12(9-15(14)19)16(20)8-3-11-1-5-13(6-2-11)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-3+
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 9.00E+4n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31283
PNG
(Chalcone derivative, N)
Show SMILES OC(=O)COc1c(Br)cc(\C=C\C(=O)c2ccc3ccccc3c2)cc1Br
Show InChI InChI=1S/C21H14Br2O4/c22-17-9-13(10-18(23)21(17)27-12-20(25)26)5-8-19(24)16-7-6-14-3-1-2-4-15(14)11-16/h1-11H,12H2,(H,25,26)/b8-5+
PDB
MMDB

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UniChem
Article
PubMed
n/an/an/a 2.70E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31276
PNG
(Chalcone derivative, C)
Show SMILES CC(C)(Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C19H17ClO4/c1-19(2,18(22)23)24-16-10-3-13(4-11-16)5-12-17(21)14-6-8-15(20)9-7-14/h3-12H,1-2H3,(H,22,23)/b12-5+
PDB
MMDB

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UniChem

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Article
PubMed
n/an/an/a 2.44E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31282
PNG
(Chalcone derivative, L)
Show SMILES CCC(C)Cc1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H16Cl2O3/c1-3-8(2)6-9-4-5-10(13(15)12(9)14)18-7-11(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 2.50E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31275
PNG
(Chalcone derivative, B-1)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2O4/c18-14-7-1-11(9-15(14)19)2-8-16(20)12-3-5-13(6-4-12)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-2+
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 1.50E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...


Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair