null
SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChI Key InChIKey=NKANXQFJJICGDU-QPLCGJKRSA-N
PDB links: 3 PDB IDs match this monomer. 9 PDB IDs contain this monomer as substructures. 9 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 109 hits for monomerid = 20607
Affinity DataKi: 0.510nMAssay Description:Displacement of [3H]estradiol from ERbeta after 4 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetEmopamil-binding protein-like(Homo sapiens (Human))
Key Laboratory of Radiopharmaceuticals (Beijing Normal University)
Curated by ChEMBL
Key Laboratory of Radiopharmaceuticals (Beijing Normal University)
Curated by ChEMBL
Affinity DataKi: 2.80nMAssay Description:Binding affinity to emopamil binding protein (unknown origin)More data for this Ligand-Target Pair
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase(Homo sapiens (Human))
University of Innsbruck
Curated by ChEMBL
University of Innsbruck
Curated by ChEMBL
Affinity DataKi: 5nMAssay Description:Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligandMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
Affinity DataKi: 12nMAssay Description:Inhibition of estradiol binding to estrogen receptor in Human Breast cancer cytosol (3.3% ethanol)More data for this Ligand-Target Pair
Affinity DataKi: 31.2nMAssay Description:Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
Affinity DataKi: 34nMAssay Description:Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanolMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
University of Innsbruck
Curated by ChEMBL
University of Innsbruck
Curated by ChEMBL
Affinity DataKi: 35nMAssay Description:Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligandMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences
Curated by ChEMBL
Bulgarian Academy of Sciences
Curated by ChEMBL
Affinity DataKi: 100nMAssay Description:Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini...More data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
Affinity DataKi: 157nMAssay Description:Binding affinity for estrogen receptorMore data for this Ligand-Target Pair
Affinity DataKi: 200nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
Affinity DataKi: 900nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylationMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
University of North Carolina at Chapel Hill
Curated by ChEMBL
University of North Carolina at Chapel Hill
Curated by ChEMBL
Affinity DataKi: 1.04E+3nMAssay Description:Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
Affinity DataKi: 1.50E+3nMAssay Description:Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligandMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TCG Lifesciences Ltd.
Curated by ChEMBL
TCG Lifesciences Ltd.
Curated by ChEMBL
Affinity DataIC50: 1.58E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Affinity DataEC50: 622nMpH: 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
Affinity DataEC50: >1.00E+3nMT: 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
Affinity DataEC50: 622nMpH: 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
Affinity DataEC50: >1.00E+3nMT: 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
Affinity DataIC50: 2.00E+4nMT: 2°CAssay Description:Phopholipase D1(PLD)enzymatic inhibition assay using PLD1.d311More data for this Ligand-Target Pair
Affinity DataEC50: 1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center for Chemical Genomics
Curated by PubChem BioAssay
Burnham Center for Chemical Genomics
Curated by PubChem BioAssay
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
Affinity DataIC50: 1.50E+4nMpH: 7.5Assay Description:In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...More data for this Ligand-Target Pair
Affinity DataIC50: 6.70E+3nMT: 2°CAssay Description:Briefly, 3 uL of enzyme (approximately 20 nM LoxA, final concentration) or buffer (no-enzyme control) was dispensed into 1536-well Greiner black clea...More data for this Ligand-Target Pair
Target3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/7-dehydrocholesterol reductase(Homo sapiens (Human))
University of Georgia
Curated by ChEMBL
University of Georgia
Curated by ChEMBL
Affinity DataIC50: 12nMAssay Description:Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS)More data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Displacement of [3H]-17-beta-estradiol from human estrogen receptor alphaMore data for this Ligand-Target Pair
Affinity DataIC50: 8.40nMAssay Description:Displacement of radioligand from Estrogen receptor alphaMore data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Antiestrogenic activity in MCF-7-2a cells as concentration required to reduce estradiol effect by 50%More data for this Ligand-Target Pair
Affinity DataIC50: 190nMAssay Description:Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assayMore data for this Ligand-Target Pair
Affinity DataIC50: 61nMAssay Description:Binding affinity to human ERalphaMore data for this Ligand-Target Pair
Affinity DataIC50: 188nMAssay Description:Binding affinity to human ERbetaMore data for this Ligand-Target Pair
Affinity DataIC50: 61nMAssay Description:Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.43E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.37E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences
Curated by ChEMBL
Bulgarian Academy of Sciences
Curated by ChEMBL
Affinity DataEC50: 5.65E+4nMAssay Description:Inhibition of P-glycoprotein-mediated [3H]vinblastine transport in human Caco2 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 129nMAssay Description:Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor responseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:Agonist activity at progesterone receptor in human MCF7 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at ERalpha receptor in human MCF7 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 25nMAssay Description:Binding affinity to ERalpha receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 70nMAssay Description:Displacement of fluorescein labeled estradiol from human recombinant ERalpha expressed in baculovirus infected insect cells by fluorescence polarizat...More data for this Ligand-Target Pair
Affinity DataIC50: 170nMAssay Description:Displacement of fluorescein labeled estradiol from human recombinant ERbeta expressed in baculovirus infected insect cells by fluorescence polarizati...More data for this Ligand-Target Pair
Affinity DataIC50: 8nMAssay Description:Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 180nMAssay Description:Displacement of [3H]-E2 from human ER-beta incubated for 16 to 20 hrs by liquid scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of fluorescein-labeled estrogen ligand from recombinant ER-alpha (unknown origin) incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: 222nMAssay Description:Displacement of Fluormone ES2 Green from human recombinant full length ERalpha expressed in insect cells measured up to 4 hrs by fluorescence polariz...More data for this Ligand-Target Pair