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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50327206'   
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))
BDBM50327206
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-11-((1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C60H90N12O17/c1-31(2)23-41(66-57(85)45(28-49(77)78)68-58(86)47(30-73)71-55(83)43(26-35-15-9-8-10-16-35)69-59(87)50(34(7)74)72-51(79)38(62)20-21-48(75)76)53(81)67-44(27-36-29-63-39-18-12-11-17-37(36)39)56(84)64-40(19-13-14-22-61)52(80)65-42(24-32(3)4)54(82)70-46(60(88)89)25-33(5)6/h8-12,15-18,29,31-34,38,40-47,50,63,73-74H,13-14,19-28,30,61-62H2,1-7H3,(H,64,84)(H,65,80)(H,66,85)(H,67,81)(H,68,86)(H,69,87)(H,70,82)(H,71,83)(H,72,79)(H,75,76)(H,77,78)(H,88,89)/t34-,38+,40+,41+,42+,43+,44+,45+,46+,47+,50+/m1/s1
PDB
MMDB

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KEGG

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p53 binding to Hdm2 by ELISA


Bioorg Med Chem 18: 6099-108 (2010)


Article DOI: 10.1016/j.bmc.2010.06.053
BindingDB Entry DOI: 10.7270/Q2GM87J8
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50327206
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-11-((1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C60H90N12O17/c1-31(2)23-41(66-57(85)45(28-49(77)78)68-58(86)47(30-73)71-55(83)43(26-35-15-9-8-10-16-35)69-59(87)50(34(7)74)72-51(79)38(62)20-21-48(75)76)53(81)67-44(27-36-29-63-39-18-12-11-17-37(36)39)56(84)64-40(19-13-14-22-61)52(80)65-42(24-32(3)4)54(82)70-46(60(88)89)25-33(5)6/h8-12,15-18,29,31-34,38,40-47,50,63,73-74H,13-14,19-28,30,61-62H2,1-7H3,(H,64,84)(H,65,80)(H,66,85)(H,67,81)(H,68,86)(H,69,87)(H,70,82)(H,71,83)(H,72,79)(H,75,76)(H,77,78)(H,88,89)/t34-,38+,40+,41+,42+,43+,44+,45+,46+,47+,50+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 75n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to Hdm2


Bioorg Med Chem 18: 6099-108 (2010)


Article DOI: 10.1016/j.bmc.2010.06.053
BindingDB Entry DOI: 10.7270/Q2GM87J8
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50327206
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-11-((1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C60H90N12O17/c1-31(2)23-41(66-57(85)45(28-49(77)78)68-58(86)47(30-73)71-55(83)43(26-35-15-9-8-10-16-35)69-59(87)50(34(7)74)72-51(79)38(62)20-21-48(75)76)53(81)67-44(27-36-29-63-39-18-12-11-17-37(36)39)56(84)64-40(19-13-14-22-61)52(80)65-42(24-32(3)4)54(82)70-46(60(88)89)25-33(5)6/h8-12,15-18,29,31-34,38,40-47,50,63,73-74H,13-14,19-28,30,61-62H2,1-7H3,(H,64,84)(H,65,80)(H,66,85)(H,67,81)(H,68,86)(H,69,87)(H,70,82)(H,71,83)(H,72,79)(H,75,76)(H,77,78)(H,88,89)/t34-,38+,40+,41+,42+,43+,44+,45+,46+,47+,50+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 75n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to Hdm2


Bioorg Med Chem 18: 6099-108 (2010)


Article DOI: 10.1016/j.bmc.2010.06.053
BindingDB Entry DOI: 10.7270/Q2GM87J8
More data for this
Ligand-Target Pair