BDBM34649 (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol::1,3,5[10]-ESTRATRIENE-3,4,17BETA-TRIOL::4-hydroxyestradiol-17 beta::MLS000069567::SMR000058747::cid_5282360
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O
InChI Key: InChIKey=QOZFCKXEVSGWGS-ZHIYBZGJSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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MPI protein (Homo sapiens (Human)) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
M18 aspartyl aminopeptidase (Plasmodium falciparum 3D7) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24B2ZQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >5.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20K2704 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human)) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V12389 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 506 | n/a | n/a | n/a | n/a |
Ohio State University Curated by ChEMBL | Assay Description Affinity for estrogen receptor of human MCF-7 cells | J Med Chem 40: 3756-64 (1997) Article DOI: 10.1021/jm9701684 BindingDB Entry DOI: 10.7270/Q2280B95 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23T9FQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Rattus norvegicus (Rat)) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel Curated by ChEMBL | Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) | J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Ohio State University Curated by ChEMBL | Assay Description Induction of pS2 Gene expression in human MCF-7 cells | J Med Chem 40: 3756-64 (1997) Article DOI: 10.1021/jm9701684 BindingDB Entry DOI: 10.7270/Q2280B95 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM34649![]() ((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,...) | UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | Purchase KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG | |||||||||||
More data for this Ligand-Target Pair |