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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Regulatory protein E2' and Ligand = 'BDBM50035218'   
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
Regulatory protein E2


(Human papillomavirus type 1a)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
Show InChI InChI=1/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/s2
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PubMed
n/an/an/a 2.41E+4n/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Binding affinity to HPV1a recombinant E2 protein by surface plasmon resonance method


Bioorg Med Chem 16: 5815-25 (2008)


Article DOI: 10.1016/j.bmc.2008.03.053
BindingDB Entry DOI: 10.7270/Q24B3136
More data for this
Ligand-Target Pair
Regulatory protein E2


(Human papillomavirus type 1a)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
Show InChI InChI=1/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/s2
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Article
PubMed
n/an/an/a>4.00E+5n/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Binding affinity to HPV1a recombinant E2 protein activator domain by surface plasmon resonance assay


Bioorg Med Chem 16: 5815-25 (2008)


Article DOI: 10.1016/j.bmc.2008.03.053
BindingDB Entry DOI: 10.7270/Q24B3136
More data for this
Ligand-Target Pair
Regulatory protein E2


(Human papillomavirus type 11)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
Show InChI InChI=1/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/s2
PDB
MMDB

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Article
PubMed
n/an/an/a 2.01E+4n/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Binding affinity to HPV11 recombinant E2 protein by surface plasmon resonance method


Bioorg Med Chem 16: 5815-25 (2008)


Article DOI: 10.1016/j.bmc.2008.03.053
BindingDB Entry DOI: 10.7270/Q24B3136
More data for this
Ligand-Target Pair
Regulatory protein E2


(Human papillomavirus type 1a)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
Show InChI InChI=1/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/s2
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Article
PubMed
n/an/an/a>4.00E+5n/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Binding affinity to HPV1a recombinant E2 protein DNA binding domain by surface plasmon resonance assay


Bioorg Med Chem 16: 5815-25 (2008)


Article DOI: 10.1016/j.bmc.2008.03.053
BindingDB Entry DOI: 10.7270/Q24B3136
More data for this
Ligand-Target Pair
Regulatory protein E2


(Human papillomavirus type 1a)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
Show InChI InChI=1/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/s2
UniProtKB/SwissProt

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CHEBI
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/an/a 1.05E+3n/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Binding affinity to HPV1a recombinant E2 protein hinge domain by surface plasmon resonance assay


Bioorg Med Chem 16: 5815-25 (2008)


Article DOI: 10.1016/j.bmc.2008.03.053
BindingDB Entry DOI: 10.7270/Q24B3136
More data for this
Ligand-Target Pair