Compound (50)
Article Title (1)
Assay (19)
ChEMBL_2214673 (CHEMBL5127805) Displacement of [3H]-MIB from cytosolic Androgen receptor derived from Sprague-Dawley rat prostate in presence of triamcinolone by competitive binding assay ChEMBL_2125676 (CHEMBL4835021) Inhibition of human erythrocyte CA1 using fluorescein diacetate as substrate at pH 3.5 by fluorometric esterase assay ChEMBL_518748 (CHEMBL957853) Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay ChEMBL_1358464 (CHEMBL3281632) Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs ChEMBL_1358466 (CHEMBL3281634) Displacement of 2 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs ChEMBL_2125677 (CHEMBL4835022) Inhibition of recombinant human CA2 expressed in Escherichia coli using fluorescein diacetate as substrate at pH 3.5 by fluorometric esterase assay ChEMBL_1972021 (CHEMBL4604839) Inhibition of human CE2 using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by luminescence assay ChEMBL_2113941 (CHEMBL4822791) Non-competitive inhibition of CES2 in human liver microsomes using fluorescein diacetate as substrate by Lineweaver-Burk plot based Michelis-Menten equation analysis ChEMBL_1731660 (CHEMBL4147196) Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by luminescence assay ChEMBL_1561176 (CHEMBL3777369) Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by LC-UV analysis ChEMBL_2056499 (CHEMBL4711500) Inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by substrate addition measured after 20 mins by fluorescence analysis ChEMBL_1561179 (CHEMBL3777372) Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by Dixon plot analysis ChEMBL_1731664 (CHEMBL4147200) Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk plot analysis ChEMBL_2056502 (CHEMBL4711503) Mixed inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweave-Burk plots analysis ChEMBL_2113940 (CHEMBL4822790) Inhibition of CES2 in human liver microsomes assessed as reduction in substrate hydrolysis using fluorescein diacetate as substrate preincubated for 3 mins followed by substrate addition and measured after 20 mins by fluorescence analysis ChEMBL_1772743 (CHEMBL4229735) Antagonist activity at CR3 in carboxyfluorescein diacetate succiminidyl ester-labeled human PMN assessed as inhibition of TNF/PMA-stimulated adhesion of PMN to fibrinogen preincubated for 10 mins followed by TNF/PMA addition by fluorescence assay K562 Cell Adhesion Assay (alpha4beta7 Mediated Adhesion/MAdCAM-1) M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were added. Stably transfected K562 cells expressing human alpha4beta7 integrin that had been labeled with carboxymethyl fluorescein diacetate succinimidyl ester (CFDA-SE) were added to each well and allowed to adhere for 1 h at room temperature. Plates were washed, and then cells were lysed. The plate was read on a 96-well fluorescent plate reader at 485 nm excitation and 530 nm emission. Radioligand Binding of Compounds to AR, GR and ER ReceptorsGR (human) (agonist radioligand) IM-9 cells (cytosol)[3H]dexamethasone 1.5 nM 1.5 nM triamcinolone (10 μM) 6 h 4° C. Scintillation counting (Clark, A. F et al. (1996) Invest. Ophtalmol. Vis. Sci., 37: 805-813).ER (nonselective) (human) (agonist radioligand) MCF-7 cells (cytosol)[3H]estradiol 0.4 nM 0.2 nM 17(3-estradiol (6 μM) 20 h 4° C. Scintillation counting(Parker, G. J et al. (2000) J. Biomol. Screen., 5: 77-88).AR (human) (agonist radioligand) LNCaP cells (cytosol)[3H]methyltrienolone 1 nM 0.8 nM mibolerone (1 μM) 24 h 4° C. Scintillation counting.Zava, D. T et al. (1979) Endocrinology, 104: 1007-1012.The results are expressed as a percent of control specific binding measured specific binding*100 control specific binding and as a percent inhibition of control specific binding 100-(measured specific binding*100) control specific binding obtained in the presence of compound. Androgen Receptor Assay Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted with buffer B (10 mM Tris-HCl, 1.5 mM EDTA disodium salt, 10 mM α-monothioglycerol, pH 7.4). Aliquots of the cell or prostate cytosol preparation (0.1 ml) are then incubated with 5 nM [3H]R1881 (0.1 ml, 100 000 cpm) in the presence or absence of the indicated concentrations of unlabeled compounds (0.1 ml, prepared in buffer B containing 30% ethanol) for 16-18 h at 0-4° C. Triamcinolone acetonide (TAC; 100 nM) is added to mask progesterone receptors. Unbound steroids are separated by incubation for 40 min at 0-4° C. with 0.3 ml HAP prepared in buffer P (50 mM Tris-HCl, 10 mM KH2PO4, pH 7.4). After incubation with HAP and 10 min of centrifugation at 1000×g, the pellet is washed 3 times with 1 ml of buffer P. Thereafter, the radioactivity is extracted from the pellet by incubation at room temperature for 60 min with 1 ml of ethanol. After centrifugation, the supernatant is decanted into a scintillation vial and the pellet is extracted again with ethanol. After the addition of scintillation liquid, the radioactivity is measured in a liquid scintillation counter.
Aristocort CHEBI:9669 Polcortolon Tedarol Kenacort BDBM50247986 Triamcinolone Diacetate Orion
BDBM50483932 Betulin 3,28-Diacetate Betulin Diacetate
MLS000028542 SMR000058333 cid_31307 TRIAMCINOLONE BDBM41132
Dihydrocelastryl diacetate BDBM81366
Secobatzelline A Diacetate BDBM50478883
BDBM50478884 Secobatzelline B Diacetate
Etynodiol Ethynodiol Diacetate Etynodiol diacetate Etynodiol Acetate BDBM50237627 Femulen CHEBI:31580 SC-11800
1,2-phenylene diacetate (15) BDBM178051
BDBM50482561 Epihippuristanol 3,11-Diacetate CHEMBL1221461
CHEMBL1222309 BDBM50482562 Hippuristanol 3,11-Diacetate
CHEMBL484343 4alpha-phorbol diacetate BDBM50277739
BDBM264475 17-oxooestra-1,3,5(10)-triene-3,11a-diyl diacetate US9714266, 4
CHEMBL1669770 BDBM50336275 1-oxo-1,3,4,5,6,7,8,9-octahydrobenzo[c][1]oxacycloundecine-11,13-diyl diacetate
CHEMBL1669774 BDBM50336276 1-oxo-1,3,4,5,6,7,8,9,10,11-decahydrobenzo[c][1]oxacyclotridecine-13,15-diyl diacetate
CHEMBL501985 cholest-8-ene-3beta,5alpha,6alpha,7alpha,10alpha-pentol 6,7-diacetate BDBM50269196
CHEMBL1241764 BDBM50326008 4-((7,7a-dihydrobenzo[d][1,3]dioxol-5-ylamino)methyl)-1,2-phenylene diacetate
CHEMBL1669772 BDBM50336277 1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclododecine-12,14-diyl diacetate
CHEMBL1669776 BDBM50336274 1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c][1]oxacyclotetradecine-14,16-diyl diacetate
CHEMBL1669762 (R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclododecine-12,14-diyl diacetate BDBM50336278
[(20S)-20-(N-methylamino)-3beta-(tigloylamino)-5alpha-pregn-16-en-2 beta,4 beta-diacetate] BDBM50242346 CHEMBL500603
2-amino-1,5-dihydro-7-[[[2-(hydroxy)ethyl]amino]methyl]-4H-pyrrolo[3,2-d]pyrimidin-4-one diacetate BDBM50195591
SMR000071779 TRIAMCINOLONE ACETONIDE cid_2931464 BDBM44577 N-cyclohexyl-N-ethyl-2-methoxy-5-methylbenzenesulfonamide SMR000058335 MLS000088404 cid_6436 MLS000028538 N-cyclohexyl-N-ethyl-2-methoxy-5-methyl-benzenesulfonamide
2-amino-1,5-dihydro-7-[[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-4H-pyrrolo[3,2-d]pyrimidin-4-one diacetate BDBM50195596
BDBM50195590 2-amino-1,5-dihydro-7-[[(2S)-2-(aminomethyl)-1-pyrrolidinyl]methyl]-4H-pyrrolo[3,2-d]pyrimidin-4-one diacetate
BDBM50195593 2-amino-1,5-dihydro-7-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-4H-pyrrolo[3,2-d]pyrimidin-4-one diacetate
CHEMBL1688198 BDBM50339000 (1R,2R,9R)-2-methoxy-9-((2-methoxyethoxy)methoxy)-11,14,14-trimethylbicyclo[8.3.1]tetradeca-3,7,10-triene-5,6-diyl diacetate
2-amino-1,5-dihydro-7-[[N,N-bis-[2-(hydroxy)ethyl]amino]methyl]-4H-pyrrolo[3,2-d]pyrimidin-4-one diacetate BDBM50195597
2-amino-1,5-dihydro-7-[[N-[ethyl]-N-[2-(hydroxy)ethyl]amino]methyl]-4H-pyrrolo-[3,2-d]pyrimidin-4-one diacetate BDBM50195588
2-amino-1,5-dihydro-7-[[[N-[2-(hydroxy)ethyl]-N-methyl]amino]methyl]-4H-pyrrolo[3,2-d]pyrimidin-4-one diacetate BDBM50195595
Aristocort Kenacourt Silderm Nasacort Aq Aureocort BDBM50248362 Tri-Nasal Triesence Audicort Remiderm Vetalog Kenalog-40 Triderm CHEBI:71418 Kenalog-H Gppe Ear Oint Kenacort Nasacort Triacet Triamcinolone Acetonide In Absorbase Adcortyl Nasacort allergy 24 hour Allernaze Adcortyl In Orabase Tri-Adcortyl Flutex Nasacort Hfa Trivaris Kenalog In Orabase Oralone Aristocort A Zilretta Nystadermal Kenalog-10 Triamcinolone Acetonide Gppe Ear Dps Cap Aristogel Azmacort Pevaryl T.C. Trymex Remotic Oracort Triatex Kenalog Triacort
Acetic acid (1R,3R)-2-acetoxy-1-hydroxycarbamoyl-3-phosphonooxy-propyl ester 1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-diyl diacetate BDBM50148765 CHEMBL114269
US11459339, Example 129 BDBM575596 diethyl 2,2'-((((((2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl))bis(azanediyl))bis (carbonyl))bis(4-cyclopropylpyridine- 6,3-diyl))bis(methylene))bis (methylazanediyl))diacetate
diethyl 2,2'-((((((2,2'-dimethyl- [1,1'-biphenyl]-3,3'-diyl)bis(azanediyl)) bis(carbonyl))bis(4-cyclopropylpyridine- 6,3-diyl))bis(methylene))bis(azanediyl)) diacetate BDBM575580 US11459339, Example 121
dimethyl 2,2'-((((((2,2'- dimethyl-[1,1'-biphenyl]-3,3'- diyl)bis(azanediyl))bis(carbonyl)) bis(4-methylpyridine-6,3-diyl))bis (methylene))bis(azanediyl))diacetate BDBM575527 US11459339, Example 24
dimethyl 2,2'-((((((2,2'-dimethyl-[1,1'- biphenyl]-3,3'-diyl)bis(azanediyl))bis (carbonyl))bis(4-methoxypyridine-6,3- diyl)bis(methylene))bis(azanediyl))diacetate BDBM575611 US11459339, Example 66
SMR002047998 (1S,4R,4aS,6S,6aR,9R,11aS,11bS)-4-(methoxycarbonyl)-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-1,6-diyl diacetate BDBM93529 cid_51361446 MLS003373241
BDBM50340949 (1R,2S)-1-((1R,4aS,11aR)-1-acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl)-4-methylpent-3-ene-1,2-diyl diacetate CHEMBL1761953
BDBM575555 US11459339, Example 38 ((((((2,2'-dimethyl-[1,1'-biphenyl]- 3,3'-diyl)bis(azanediyl))bis (carbonyl))bis(4-methoxypyridine- 6,3-diyl))bis(methylene))bis (azanediyl))bis(ethane-2,1-diyl) diacetate
(1R,2S)-1-((1R,4aS,8S,11aR)-1-acetoxy-8-hydroperoxy-7,11-dimethylene-1,4a,5,6,7,8,9,10,11,11a-decahydrocyclonona[c]pyran-4-yl)-4-methylpent-3-ene-1,2-diyl diacetate CHEMBL1761955 BDBM50340951
CHEMBL1761954 BDBM50340950 (1R,2S)-1-((1R,4aS,9R,11aR)-1-acetoxy-9-hydroxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl)-4-methylpent-3-ene-1,2-diyl diacetate
US9725465, Example 74 BDBM331653 Preparation of ((2-(3-fluoro-4-(2-oxo-2-((5-(1-(trifluoromethyl)cyclopropyl)isoxazol-3-yl)amino)ethyl)phenyl)quinoxaline-6,7-diyl)bis(oxy))bis(ethane-2,1-diyl) diacetate
((1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13bR)-9-acetoxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a,8-diyl)bis(methylene)diacetate CHEMBL568655 BDBM50303220
CHEMBL67599 Acetic acid 7-acetoxy-3-(3,4-diacetoxy-phenyl)-2-oxo-2H-chromen-6-yl ester 6,7-diacetoxy-3-[30,40-diacetoxyphenyl]-coumarin 4-(6,7-diacetoxy-2-oxo-2H-chromen-3-yl)-1,2-phenylene diacetate BDBM50198762
1,2-Di-O-acetyllycorine BDBM50293602 CHEMBL465295 (1S,17S,18S,19S)-17-(acetyloxy)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9,15-tetraen-18-yl acetate 1,2-Diacetyllycorine (1S,2S,12bS,12cS)-1,2-Diol-2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diacetate 1,2-Diacetoxylycorine
(8-acetyloxy-4-oxo-3-phenoxychromen-7-yl) acetate 4-oxo-3-phenoxy-4H-chromene-7,8-diyl diacetate SMR000270228 acetic acid (8-acetyloxy-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester (8-acetyloxy-4-oxidanylidene-3-phenoxy-chromen-7-yl) ethanoate cid_1333153 BDBM53614 MLS000662785 acetic acid (8-acetoxy-4-keto-3-phenoxy-chromen-7-yl) ester
4-ethyl-2-oxo-2H-chromene-5,7-diyl diacetate acetic acid (5-acetyloxy-4-ethyl-2-oxo-1-benzopyran-7-yl) ester (5-acetyloxy-4-ethyl-2-oxidanylidene-chromen-7-yl) ethanoate SMR000078633 cid_974184 (5-acetyloxy-4-ethyl-2-oxochromen-7-yl) acetate BDBM51574 MLS000050922 acetic acid (5-acetoxy-4-ethyl-2-keto-chromen-7-yl) ester
acetic acid [4-[[3-[3-[(4-acetoxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] ester acetic acid [4-[[3-[[3-[[(4-acetyloxyphenyl)-oxomethyl]amino]phenyl]-oxomethyl]anilino]-oxomethyl]phenyl] ester carbonylbis(3,1-phenyleneiminocarbonyl-4,1-phenylene) diacetate MLS000576512 SMR000185896 cid_1349808 BDBM50997 [4-[[3-[3-[(4-acetyloxyphenyl)carbonylamino]phenyl]carbonylphenyl]carbamoyl]phenyl] ethanoate [4-[[3-[3-[(4-acetyloxybenzoyl)amino]benzoyl]phenyl]carbamoyl]phenyl] acetate
2-methyl-4-oxo-3-phenoxy-4H-chromene-7,8-diyl diacetate MLS000662710 acetic acid (8-acetoxy-4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester (8-acetyloxy-2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) ethanoate acetic acid (8-acetyloxy-2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester (8-acetyloxy-2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate BDBM53613 SMR000270163 cid_985344
ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethoxy)-4-[(E)-2-nitroethenyl]phenoxy]ethanoate 2-[3-(2-ethoxy-2-oxoethoxy)-4-[(E)-2-nitroethenyl]phenoxy]acetic acid ethyl ester MLS000575610 cid_1040545 2-[3-(2-ethoxy-2-keto-ethoxy)-4-[(E)-2-nitrovinyl]phenoxy]acetic acid ethyl ester diethyl 2,2'-[[4-(2-nitrovinyl)-1,3-phenylene]bis(oxy)]diacetate SMR000185749 BDBM72137 ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-4-[(E)-2-nitroethenyl]phenoxy]acetate
2-[[4-cyano-3-[(2-oxo-2-phenylmethoxyethyl)thio]-5-isothiazolyl]thio]acetic acid (phenylmethyl) ester SMR000143669 BDBM39706 dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate MLS000537032 2-[[3-[(2-benzoxy-2-keto-ethyl)thio]-4-cyano-isothiazol-5-yl]thio]acetic acid benzyl ester (phenylmethyl) 2-[[4-cyano-3-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]ethanoate cid_1963301 benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate