tamibarotene [Ligand Id: 2648] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL25202 (Am80, AM-80, Amnoid, INNO-507, NSC-608000, OP-01, RR-110, Sy-1425, SY-1425, Tamibarotene, Tamibaroteno, TM-411, TOS-80T) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| CYP26A1/Cytochrome P450 26A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5141] [GtoPdb: 1366] [UniProtKB: O43174] | ||||||||
| ChEMBL | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percent activity remaining in the presence of the inhibitor in comparison to the solvent only control was quantified. | B | 4.88 | pIC50 | 13050 | nM | IC50 | US-9963439-B2. Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase (2018) |
| CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] | ||||||||
| ChEMBL | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at their previously determined Km values (CYP2C8: paclitaxel, 4 μM; CYP2C9: diclofenac, 5 μM; CYP3A4: midazolam, 0.5 μM). Incubations contained 0.1 mg/mL human liver microsomes, 3 mM MgCl2, probe substrate and various concentrations of inhibitor (12-point IC50 curve) in 100 mM potassium phosphate buffer (pH 7.4). Concentrations of organic solvents were kept to <1% (v/v). All incubations were pre-incubated at 37° C. for 5 minutes prior to addition of 1 mM NADPH (final concentration). Incubations were stopped after 5 (CYP3A4) or 15 minutes (CYP2C8 and CYP2C9) with one volume (v/v) of ice-cold acetonitrile containing 0.1 μM tolbutamide as an internal standard. All samples were vortexed and centrifuged prior to LC-MS/MS analysis. | B | 4.97 | pIC50 | 10650 | nM | IC50 | US-9963439-B2. Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase (2018) |
| Flavin reductase (NADPH) in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5019] [UniProtKB: P30043] | ||||||||
| ChEMBL | Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry | B | 5.86 | pKd | 1380.38 | nM | Kd | J Med Chem (2022) 65: 2548-2557 [PMID:34957824] |
| ChEMBL | Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry | B | 5.86 | pKd | 1380 | nM | Kd | J Med Chem (2022) 65: 2548-2557 [PMID:34957824] |
| Retinoic acid receptor-α/Retinoic acid receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276] | ||||||||
| ChEMBL | Agonistic activity towards retinoic acid receptor-alpha | F | 8.19 | pKi | 6.5 | nM | Ki | J Med Chem (1997) 40: 4222-4234 [PMID:9435893] |
| GtoPdb | - | - | 6.9 | pIC50 | - | - | - |
J Med Chem (1988) 31: 2182-92 [PMID:3184125]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761]; Curr Pharm Des (2000) 6: 25-58 [PMID:10637371] |
| ChEMBL | Binding affinity for Retinoic Acid Receptor alpha (RAR alpha) | B | 7.11 | pIC50 | 78 | nM | IC50 | J Med Chem (2000) 43: 409-419 [PMID:10669568] |
| ChEMBL | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) EUB0000566a RARA | F | 7.3 | pEC50 | 50 | nM | EC50 | Affinity On-target Cellular Literature for EUbOPEN Chemogenomic Library |
| ChEMBL | Agonist activity at RARalpha | F | 7.35 | pEC50 | 45 | nM | EC50 | J Med Chem (2010) 53: 6779-6810 [PMID:20925433] |
| GtoPdb | - | - | 7.35 | pEC50 | 45 | nM | EC50 | J Med Chem (2010) 53: 6779-810 [PMID:20925433] |
| Retinoic acid receptor-β/Retinoic acid receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2008] [GtoPdb: 591] [UniProtKB: P10826] | ||||||||
| ChEMBL | Agonistic activity towards retinoic acid receptor-beta | F | 7.52 | pKi | 30 | nM | Ki | J Med Chem (1997) 40: 4222-4234 [PMID:9435893] |
| ChEMBL | Agonist activity at RARbeta | F | 6.63 | pEC50 | 235 | nM | EC50 | J Med Chem (2010) 53: 6779-6810 [PMID:20925433] |
| GtoPdb | - | - | 6.63 | pEC50 | 235 | nM | EC50 | J Med Chem (2010) 53: 6779-810 [PMID:20925433] |
| ChEMBL | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) EUB0000566a RARB | F | 6.7 | pEC50 | 200 | nM | EC50 | Affinity On-target Cellular Literature for EUbOPEN Chemogenomic Library |
| Retinoic acid receptor-γ/Retinoic acid receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2003] [GtoPdb: 592] [UniProtKB: P13631] | ||||||||
| ChEMBL | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) EUB0000566a RARG | F | 6.22 | pEC50 | 600 | nM | EC50 | Affinity On-target Cellular Literature for EUbOPEN Chemogenomic Library |
| ChEMBL | Agonist activity at RARgamma | F | 6.23 | pEC50 | 591 | nM | EC50 | J Med Chem (2010) 53: 6779-6810 [PMID:20925433] |
| GtoPdb | - | - | 6.23 | pEC50 | 591 | nM | EC50 | J Med Chem (2010) 53: 6779-810 [PMID:20925433] |
ChEMBL data shown on this page come from version 36:
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]
