BindingDB

null

SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12

InChI Key InChIKey=YJGVMLPVUAXIQN-XVVDYKMHSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50035218

Regulatory protein E2(Human papillomavirus type 1a)
Tokyo University of Science

Curated by ChEMBL

BDBM50035218(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)copy SMILEScopy InChI

Kd: 2.41E+4nMAssay Description:Binding affinity to HPV1a recombinant E2 protein by surface plasmon resonance methodMore data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q24B3136PubMed

Regulatory protein E2(Human papillomavirus type 1a)
Tokyo University of Science

Curated by ChEMBL

BDBM50035218(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)copy SMILEScopy InChI

Kd: >4.00E+5nMAssay Description:Binding affinity to HPV1a recombinant E2 protein activator domain by surface plasmon resonance assayMore data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q24B3136PubMed

Regulatory protein E2(Human papillomavirus type 1a)
Tokyo University of Science

Curated by ChEMBL

BDBM50035218(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)copy SMILEScopy InChI

Kd: 1.05E+3nMAssay Description:Binding affinity to HPV1a recombinant E2 protein hinge domain by surface plasmon resonance assayMore data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q24B3136PubMed

Regulatory protein E2(Human papillomavirus type 1a)
Tokyo University of Science

Curated by ChEMBL

BDBM50035218(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)copy SMILEScopy InChI

Kd: >4.00E+5nMAssay Description:Binding affinity to HPV1a recombinant E2 protein DNA binding domain by surface plasmon resonance assayMore data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q24B3136PubMed

Regulatory protein E2(Human papillomavirus type 11)
Tokyo University of Science

Curated by ChEMBL

BDBM50035218(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)copy SMILEScopy InChI

Kd: 2.01E+4nMAssay Description:Binding affinity to HPV11 recombinant E2 protein by surface plasmon resonance methodMore data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q24B3136PubMed

Regulatory protein E2(Human papillomavirus type 16)
Tokyo University of Science

Curated by ChEMBL

BDBM50035218(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)copy SMILEScopy InChI

Kd: 7.05E+4nMAssay Description:Binding affinity to HPV16 recombinant E2 protein by surface plasmon resonance methodMore data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q24B3136PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50035218

Tubulin(Bos taurus (Bovine))
Huazhong Agricultural University

BDBM50035218(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)

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ΔG°: -260kcal/mole −TΔS°: -74.6kcal/mole ΔH°: -185kcal/mole logk: 8.82E+3
T: 30.00°C

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3D Structure (crystal)

Targets 13 ▿
- Similar to alpha-tubulin isoform 1 11
- Tubulin beta chain 11
- Regulatory protein E2 6
- Tubulin beta-2B chain 3
- Steroidogenic factor 1 3
- Prostaglandin G/H synthase 2 2
- Prostaglandin G/H synthase 1 2
- Tubulin alpha-1A chain 2
- Nuclear receptor subfamily 0 group B member 1 2
- Tubulin 1
- Glucocorticoid receptor 1
- Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) 1
- Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain 1
Publications 36 ▿
- Bioorg Med Chem 16: 5815-25 (2008) 6
- Bioorg Med Chem Lett 20: 1787-91 (2010) 2
- PubChem Bioassay (2013) 2
- PubChem Bioassay (2013) 2
- ACS Chem Biol 11: 3052-3060 (2016) 2
- J Med Chem 46: 1670-82 (2003) 1
- J Med Chem 23: 546-9 (1980) 1
- J Med Chem 40: 2266-75 (1997) 1
- J Med Chem 41: 1155-62 (1998) 1
- Antimicrob Agents Chemother 53: 2824-33 (2009) 1
- J Med Chem 46: 3382-94 (2003) 1
- J Med Chem 40: 3049-56 (1997) 1
- J Med Chem 37: 1126-35 (1994) 1
- J Med Chem 43: 4479-87 (2000) 1
- J Med Chem 37: 3400-7 (1994) 1
- PubChem Bioassay (2007) 1
- J Med Chem 54: 4247-63 (2011) 1
- PubChem Bioassay (2007) 1
- J Med Chem 36: 1146-56 (1993) 1
- Bioorg Med Chem Lett 24: 3356-60 (2014) 1
- Bioorg Med Chem 16: 7552-60 (2008) 1
- J Med Chem 44: 3932-6 (2001) 1
- Chem Biol Drug Des 72: 513-24 (2008) 1
- J Med Chem 42: 4081-7 (1999) 1
- J Med Chem 50: 6059-66 (2007) 1
- Bioorg Med Chem Lett 15: 5382-5 (2005) 1
- J Med Chem 49: 7816-25 (2006) 1
- J Med Chem 49: 3906-15 (2006) 1
- J Med Chem 34: 2579-88 (1991) 1
- J Med Chem 52: 1284-94 (2009) 1
- J Med Chem 56: 5562-86 (2013) 1
- Bioorg Med Chem 19: 4183-91 (2011) 1
- J Med Chem 40: 3524-33 (1997) 1
- ACS Chem Biol 12: 746-752 (2017) 1
- Bioorg Med Chem 22: 5466-75 (2014) 1
- Eur J Med Chem 45: 3420-38 (2010) 1
Institutions 23 ▿
- [Westphalian Wilhelms-University, Tokyo University of Science, The Scripps Research Institute Molecular Screening Center] 6
- [Westphalian Wilhelms-University, Tokyo University of Science, The Scripps Research Institute Molecular Screening Center] 6
- [Westphalian Wilhelms-University, Tokyo University of Science, The Scripps Research Institute Molecular Screening Center] 6
- [University of North Carolina] 3
- [The Ohio State University, Purdue University, Vanderbilt University School of Medicine, Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine, University of North Carolina at Chapel Hill] 2
- [The Ohio State University, Purdue University, Vanderbilt University School of Medicine, Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine, University of North Carolina at Chapel Hill] 2
- [The Ohio State University, Purdue University, Vanderbilt University School of Medicine, Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine, University of North Carolina at Chapel Hill] 2
- [The Ohio State University, Purdue University, Vanderbilt University School of Medicine, Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine, University of North Carolina at Chapel Hill] 2
- [The Ohio State University, Purdue University, Vanderbilt University School of Medicine, Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine, University of North Carolina at Chapel Hill] 2
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
- [Monash University (Parkville campus), CancerCare Manitoba, Huazhong Agricultural University, University of North Carolina at Chapel Hill 27599, China Medical College, Novartis Institutes for BioMedical Research, Universit£t Regensburg, Institute of Pharmaceutical Chemistry, CSIR-Indian Institute of Chemical Technology, TBA, School of Pharmacy, National Institute of Pharmaceutical Education and Research (NIPER), Universit£ di Ferrara, Icahn School of Medicine at Mount Sinai] 1
Affinity: 14 to 4.0E+5 nM▿
- Ki 1
- IC50 38
- Kd 6
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1