null
SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChI Key InChIKey=DNXHEGUUPJUMQT-CBZIJGRNSA-N
PDB links: 5 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 33 hits for monomerid = 17289
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
Affinity DataKi: 3nMAssay Description:Inhibition of (unknown origin) 17beta-HSD1 assessed as conversion of [14C]estradiol to [14C]estrone using NADP+More data for this Ligand-Target Pair
3D Structure (crystal)Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
Affinity DataKi: 9.50E+3nMAssay Description:Inhibition of human estradiol 17beta-dehydrogenaseMore data for this Ligand-Target Pair
TargetCorticosteroid-binding globulin(Homo sapiens)
Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
Nippon Zoki Pharmaceutical Company Ltd.
Curated by ChEMBL
Affinity DataKi: 1.00E+4nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1A1(Rattus norvegicus)
Albert Einstein College of Medicine
Curated by ChEMBL
Albert Einstein College of Medicine
Curated by ChEMBL
Affinity DataKi: 1.57E+4nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+6nMpH: 7.0 T: 2°CAssay Description:Assays were performed with ~100 μg of membrane protein, as determined by a Bradford assay. The membrane fraction was preincubated with 1 μM met...More data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Japanese Foundation for Cancer Research
Curated by ChEMBL
Japanese Foundation for Cancer Research
Curated by ChEMBL
Affinity DataIC50: 3.00E+3nMAssay Description:TP_TRANSPORTER: drug resistance(Mitoxantrone) in BCRP-expressing K562 cellsMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
Affinity DataIC50: 810nMAssay Description:Inhibition of (unknown origin) 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol using NADHMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
Affinity DataIC50: 600nMAssay Description:Inhibition of (unknown origin) 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiolMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 210nMAssay Description:Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 540nMAssay Description:Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.More data for this Ligand-Target Pair
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: 120nMAssay Description:Ability to activate estrogen receptor 2-mediated transcription.More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: 120nMAssay Description:Ability to activate estrogen receptor 1-mediated transcription.More data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
Affinity DataIC50: 330nMAssay Description:Inhibition of 17-beta HSD1 in T47D cellsMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
Affinity DataIC50: 218nMAssay Description:Inhibition of 17beta-HSD1 in human T47D cells assessed as inhibition of transformation of [14C]-estrone into [14C]estrogenMore data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Japanese Foundation for Cancer Research
Curated by ChEMBL
Japanese Foundation for Cancer Research
Curated by ChEMBL
Affinity DataIC50: 1.00E+4nMAssay Description:TP_TRANSPORTER: drug resistance(SN-38) in BCRP-expressing K562 cellsMore data for this Ligand-Target Pair
TargetSex hormone-binding globulin(Homo sapiens (Human))
University of British Columbia
Curated by ChEMBL
University of British Columbia
Curated by ChEMBL
Affinity DataKd: 6.60nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
Affinity DataIC50: 109nMAssay Description:Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation countingMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 96nMAssay Description:Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cellsMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: 7nMAssay Description:Activity at human recombinant ERalpha by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: 8nMAssay Description:Activity at human recombinant ERbeta by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetCytochrome P450 1B1(Homo sapiens (Human))
CHU de Qu£bec - Research Center (CHUL
Curated by ChEMBL
CHU de Qu£bec - Research Center (CHUL
Curated by ChEMBL
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in bacterial microsomes co-expressing P450 reductase using 7-ethyl-O-resorufin as substrate after 45...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.More data for this Ligand-Target Pair
Affinity DataIC50: 9.31E+4nMAssay Description:Inhibition of alpha-synuclein aggregation (unknown origin) incubated for 8 days by thioflavin S based fluorescence assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: 0.940nMAssay Description:Displacement of fluormone from GST-tagged ERbeta receptor LBD (unknown origin) measured after 60 mins by TR-FRET competitive binding assayMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: 2.40nMAssay Description:Agonist activity at full length human ERalpha receptor assessed as transcriptional activity incubated for 22 to 24 hrs by cell based luciferase repor...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: >50nMAssay Description:Antagonist activity at full length human ERalpha receptor assessed as inhibition of estradiol-induced activation incubated for 22 to 24 hrs by cell b...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: >10nMAssay Description:Antagonist activity at full length human ERbeta receptor assessed as inhibition of estradiol-induced activation incubated for 22 to 24 hrs by cell ba...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 1.14E+3nM EC50: 2.10nMpH: 7.4 T: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 480nM EC50: 0.700nMpH: 7.4 T: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataEC50: 0.5nMAssay Description:Agonist activity at full length human ERbeta receptor assessed as transcriptional activity incubated for 22 to 24 hrs by cell based luciferase report...More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 29nM EC50: 166nMAssay Description:Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
Affinity DataIC50: 31nM EC50: 26nMAssay Description:Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...More data for this Ligand-Target Pair