troglitazone [Ligand Id: 2693] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL408 (CI-991, CS-045, GR-92132X, GR92132X, Prelay, Rezulin, Romozin, Troglitazone) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] | ||||||||
| ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 5.53 | pKi | 2943 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) | B | 5.28 | pIC50 | 5208 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943] | ||||||||
| ChEMBL | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | B | 5.69 | pIC50 | 2038 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 15-LOX-1/Arachidonate 15-lipoxygenase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3259476] [GtoPdb: 1388] [UniProtKB: P39654] | ||||||||
| ChEMBL | Inhibition of 15-LOX-mediated lipid oxidation in 10% C57BL/6J mouse plasma | B | 4.7 | pIC50 | 20000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5411-5417 [PMID:27777006] |
| ABCB11/Bile salt export pump in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6020] [GtoPdb: 778] [UniProtKB: O95342] | ||||||||
| ChEMBL | TP_TRANSPORTER: increase in dihydrofluorescein intracellular accumulation (dihydrofluorescein: 1 uM) in SK-E2 cells (expressing BSEP) | F | 4.18 | pIC50 | 66400 | nM | IC50 | Pharm Res (2003) 20: 537-544 [PMID:12739759] |
| ChEMBL | Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | B | 5.57 | pIC50 | 2700 | nM | IC50 | Drug Metab Dispos (2012) 40: 130-138 [PMID:21965623] |
| ABCB11/Bile salt export pump in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073674] [GtoPdb: 778] [UniProtKB: O70127] | ||||||||
| ChEMBL | Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake | B | 4.97 | pIC50 | 10600 | nM | IC50 | Drug Metab Dispos (2012) 40: 130-138 [PMID:21965623] |
| ChEMBL | TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in liver canalicular membrane vesicle from female rat | F | 5.41 | pIC50 | 3900 | nM | IC50 | Toxicology (2001) 167: 83-98 [PMID:11557132] |
| carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) | B | 6.01 | pIC50 | 970 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712] | ||||||||
| ChEMBL | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.4 | pIC50 | 4000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Forkhead box protein M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4739852] [UniProtKB: Q08050] | ||||||||
| ChEMBL | Binding affinity to recombinant FOXM1 DBD (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as disruption of FOXM1-DNA complex preincubated for 1.5 hrs followed by DNA addition measured after 20 mins by EMSA | B | 7.28 | pKi | 51.97 | nM | Ki | Eur J Med Chem (2021) 209: 112902-112902 [PMID:33069434] |
| indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075294] [GtoPdb: 2829] [UniProtKB: P28776] | ||||||||
| ChEMBL | Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis | B | 4.21 | pIC50 | 61000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7641-7646 [PMID:23122865] |
| indoleamine 2,3-dioxygenase 2/Indoleamine 2,3-dioxygenase 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189159] [GtoPdb: 3019] [UniProtKB: Q8R0V5] | ||||||||
| ChEMBL | Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis | B | 5.35 | pIC50 | 4500 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7641-7646 [PMID:23122865] |
| mitogen-activated protein kinase 1/MAP kinase ERK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4040] [GtoPdb: 1495] [UniProtKB: P28482] | ||||||||
| ChEMBL | DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) | B | 5.91 | pIC50 | 1238 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
| ChEMBL | Uncompetitive inhibition of human MAOA expressed in Pichia pastoris | B | 4.98 | pKi | 10500 | nM | Ki | ACS Med Chem Lett (2012) 3: 39-42 [PMID:22282722] |
| Monoamine oxidase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396] | ||||||||
| ChEMBL | Uncompetitive inhibition of rat MAOA expressed in Pichia pastoris | B | 5.32 | pKi | 4800 | nM | Ki | ACS Med Chem Lett (2012) 3: 39-42 [PMID:22282722] |
| Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338] | ||||||||
| ChEMBL | Uncompetitive inhibition of human MAOB expressed in Pichia pastoris | B | 5.02 | pKi | 9500 | nM | Ki | ACS Med Chem Lett (2012) 3: 39-42 [PMID:22282722] |
| ChEMBL | Inhibition of human recombinant MAO-B after 15 mins | B | 5.68 | pIC50 | 2070 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5295-5298 [PMID:20650633] |
| ChEMBL | Inhibition of recombinant human MAO-B | B | 5.68 | pIC50 | 2070 | nM | IC50 | Bioorg Med Chem Lett (2022) 76: 128994-128994 [PMID:36162779] |
| Monoamine oxidase B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2993] [GtoPdb: 2490] [UniProtKB: P19643] | ||||||||
| ChEMBL | Uncompetitive inhibition of rat MAOB expressed in Pichia pastoris | B | 4.96 | pKi | 10900 | nM | Ki | ACS Med Chem Lett (2012) 3: 39-42 [PMID:22282722] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
| ChEMBL | inhibition of [125I]SB 236636 binding to human PPAR gamma receptor | B | 5.42 | pKi | 3800 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 2121-2126 |
| GtoPdb | - | - | 5.8 | pKi | 1585 | nM | Ki | Endocrinology (1996) 137: 4189-95 [PMID:8828476] |
| ChEMBL | Binding affinity to human recombinant PPARgamma by Cheng-Prusoff equation based competitive binding TR-FRET assay | B | 6.4 | pKi | 400 | nM | Ki | Bioorg Med Chem (2018) 26: 5654-5663 [PMID:30352713] |
| ChEMBL | Displacement of fluormone Pan-PPAR Green from human GST-tagged PPARgamma-LBD by TR-FRET assay | B | 6.42 | pKi | 380 | nM | Ki | Bioorg Med Chem (2018) 26: 1069-1075 [PMID:29398443] |
| ChEMBL | In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assay (SPA) | B | 6.52 | pKi | 302 | nM | Ki | J Med Chem (1998) 41: 5020-5036 [PMID:9836620] |
| ChEMBL | Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma) | B | 6.52 | pKi | 302 | nM | Ki | Bioorg Med Chem Lett (1999) 9: 3329-3334 [PMID:10612594] |
| ChEMBL | Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant by Lanthascreen TR-FRET assay relative to control | B | 6.7 | pKi | 200 | nM | Ki | Bioorg Med Chem (2022) 54: 116564-116564 [PMID:34922307] |
| ChEMBL | Inhibition of fluormone binding to human PPARgamma LBD after 2 hrs by competitive fluorescence polarization assay | B | 5.59 | pIC50 | 2600 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 2954-2958 [PMID:22424975] |
| ChEMBL | Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) | B | 5.89 | pIC50 | 1285 | nM | IC50 | J Med Chem (2001) 44: 2061-2064 [PMID:11405642] |
| ChEMBL | Displacement of tritium labeled ligand from human PPARgamma by SPA assay | B | 5.89 | pIC50 | 1285 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 6293-6297 [PMID:17005393] |
| GtoPdb | - | - | 6.3 | pIC50 | 501.2 | nM | IC50 |
J Med Chem (1998) 41: 5020-36 [PMID:9836620]; J Pharmacol Exp Ther (1998) 284: 751-9 [PMID:9454824] |
| ChEMBL | Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-FRET competitive binding assay | B | 6.43 | pIC50 | 370 | nM | IC50 | Bioorg Med Chem (2018) 26: 5870-5884 [PMID:30429097] |
| ChEMBL | Agonist activity at PPARgamma (unknown origin) | B | 6.47 | pIC50 | 340 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 2907-2912 [PMID:26048793] |
| ChEMBL | Binding affinity to GST-tagged human PPARgamma by TR-FRET analysis | B | 6.52 | pIC50 | 300 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4122-4126 [PMID:22579420] |
| ChEMBL | Agonist activity at PPARgamma receptor by cofactor assay | F | 5.59 | pEC50 | 2600 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 3272-3277 [PMID:18477507] |
| ChEMBL | Binding affinity at human PPAR gamma | B | 5.65 | pEC50 | 2235 | nM | EC50 | J Med Chem (2001) 44: 2061-2064 [PMID:11405642] |
| ChEMBL | Displacement of tritium labeled ligand from human PPARgamma by SPA assay | B | 5.65 | pEC50 | 2235 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 6293-6297 [PMID:17005393] |
| ChEMBL | Partial agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 by TR-FRET assay | B | 5.7 | pEC50 | 2000 | nM | EC50 | Bioorg Med Chem (2020) 28: 115226-115226 [PMID:31806266] |
| ChEMBL | Agonist activity at human PPAR-gamma expressed in CHO-K1 cells by PathHunter assay | B | 5.7 | pEC50 | 2000 | nM | EC50 | J Med Chem (2022) 65: 9974-10000 [PMID:35797110] |
| ChEMBL | Agonist activity at PPARgamma (unknown origin) assessed as increase in fluorescein labeled TRAP220/DRIP-2 coactivator peptide requirement by Lanthascreen TR-FRET assay | B | 5.82 | pEC50 | 1500 | nM | EC50 | Bioorg Med Chem (2022) 54: 116564-116564 [PMID:34922307] |
| ChEMBL | Agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator peptide fluorescein-TRAP220/DRIP by TR-FRET assay | B | 5.86 | pEC50 | 1380 | nM | EC50 | J Med Chem (2020) 63: 16012-16027 [PMID:33325691] |
| ChEMBL | Agonist activity at PPARgamma (unknown origin) by nuclear receptor cofactor assay | B | 6 | pEC50 | 1000 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 4813-4816 [PMID:23910984] |
| ChEMBL | In vitro transactivation using receptor transactivation assay against hPPAR gamma | F | 6.01 | pEC50 | 980 | nM | EC50 | J Med Chem (2002) 45: 789-804 [PMID:11831892] |
| ChEMBL | Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay | B | 6.14 | pEC50 | 730 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 2527-2533 [PMID:22381047] |
| ChEMBL | Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay | B | 6.14 | pEC50 | 720 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 6681-6687 [PMID:23031596] |
| ChEMBL | Agonist activity for Human PPAR gamma receptor in transcriptional activation assay | F | 6.26 | pEC50 | 550 | nM | EC50 | J Med Chem (2000) 43: 527-550 [PMID:10691680] |
| ChEMBL | Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection assay in CV-1 cells | F | 6.27 | pEC50 | 537.03 | nM | EC50 | J Med Chem (1998) 41: 5020-5036 [PMID:9836620] |
| ChEMBL | Transcriptional activation of peroxisome proliferator activated receptor gamma | F | 6.27 | pEC50 | 537.03 | nM | EC50 | Bioorg Med Chem Lett (1999) 9: 3329-3334 [PMID:10612594] |
| ChEMBL | Agonist activity at human recombinant PPARgamma expressed in CHO cells cotransfected with pGL3-PPRE3-TK-luc reporter assessed as beta-galactosidase activity at after 24 hrs by luciferase based transactivation assay | F | 6.36 | pEC50 | 440 | nM | EC50 | J Nat Prod (2012) 75: 784-788 [PMID:22424300] |
| ChEMBL | Agonist activity at human PPARgamma expressed in CHO cells co-transfected with pGL3-PPRE3-TK-luc assessed as transactivation after 24 hrs by firefly luciferase reporter gene assay | F | 6.36 | pEC50 | 440 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 2347-2349 [PMID:22342624] |
| ChEMBL | Activation of PPARgamma transfected in HEK293 cells after 18 hrs by firefly luciferase reporter gene-based luminescence assay relative to control | B | 6.4 | pEC50 | 400 | nM | EC50 | J Nat Prod (2011) 74: 1779-1786 [PMID:21800856] |
| ChEMBL | Transactivation of human PPARgamma expressed in african green monkey CV1 cells by luciferase reporter gene assay | B | 6.4 | pEC50 | 400 | nM | EC50 | Bioorg Med Chem Lett (2012) 22: 4122-4126 [PMID:22579420] |
| ChEMBL | Agonist activity at PPARgamma (unknown origin) incubated for 3 to 16 hrs by pathhunter nuclear hormone receptor assay | B | 6.67 | pEC50 | 215 | nM | EC50 | ACS Med Chem Lett (2019) 10: 1068-1073 [PMID:31312410] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2459] [GtoPdb: 595] [UniProtKB: P37238] | ||||||||
| ChEMBL | Agonist activity at PPARgamma in mouse 3T3L1 cells | F | 6 | pEC50 | 1000 | nM | EC50 | Bioorg Med Chem (2011) 19: 2835-2841 [PMID:21493073] |
| ChEMBL | Agonist activity for murine PPAR gamma receptor in transcriptional activation assay | F | 6.11 | pEC50 | 780 | nM | EC50 | J Med Chem (2000) 43: 527-550 [PMID:10691680] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | DNDI: Malaria in Vitro, 72 hour | F | 5.14 | pIC50 | 7270 | nM | IC50 | Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning |
| protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
| ChEMBL | Inhibition of PTP1B | B | 4.26 | pIC50 | 55000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 6161-6165 [PMID:19783142] |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 6.08 | pKi | 835 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.88 | pIC50 | 1312 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| CYP5A1/Thromboxane-A synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1835] [GtoPdb: 1353] [UniProtKB: P24557] | ||||||||
| ChEMBL | DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) | B | 5.53 | pIC50 | 2966 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| UDP-glucuronosyltransferase 1-6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743316] [UniProtKB: P19224] | ||||||||
| ChEMBL | Inhibition of AZT glucuronidation by human recombinant UGT1A6 | B | 4.7 | pKi | 20000 | nM | Ki | Pharmacol Ther (2005) 106: 97-132 [PMID:15781124] |
| Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505] | ||||||||
| ChEMBL | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in guinea pig ventricular myocytes | F | 6.1 | pIC50 | 800 | nM | IC50 | IC50 data for the L-type calcium channel extracted from a set of literature articles |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002] | ||||||||
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes | F | 5.02 | pIC50 | 9500 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
