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] |
| 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 | 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 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
