TTNPB [Ligand Id: 2646] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL275311 |
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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 | 5.25 | pIC50 | 5600 | 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 | 5.43 | pIC50 | 3700 | nM | IC50 | US-9963439-B2. Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase (2018) |
| RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449] | ||||||||
| ChEMBL | Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment | B | 5.05 | pEC50 | 9000 | nM | EC50 | J Med Chem (2014) 57: 5871-5892 [PMID:24502334] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 4.8 | pIC50 | 15848.93 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
| Retinoic acid receptor-α/Retinoic acid receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276] | ||||||||
| ChEMBL | Binding affinity for Retinoic acid receptor alpha | B | 7.44 | pKd | 36 | nM | Kd | Bioorg Med Chem Lett (1997) 7: 2373-2378 |
| ChEMBL | Binding affinity to retinoic acid receptor alpha using [3H]CD 367 as radioligand | B | 7.68 | pKi | 21 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| GtoPdb | - | - | 7.44 | pIC50 | - | - | - |
Mol Cell Biol (1994) 14: 287-98 [PMID:8264595]; J Mol Biol (2000) 302: 155-70 [PMID:10964567]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761]; Curr Pharm Des (2000) 6: 25-58 [PMID:10637371] |
| ChEMBL | Binding affinity against retinoic Acid alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 7.44 | pIC50 | 36 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Effective concentration against RAR-alpha receptor | B | 7.07 | pEC50 | 85 | nM | EC50 | J Med Chem (1993) 36: 2605-2613 [PMID:8410972] |
| ChEMBL | Transactivation potency for Retinoic acid receptor alpha | B | 7.52 | pEC50 | 30 | nM | EC50 | Bioorg Med Chem Lett (1997) 7: 2373-2378 |
| ChEMBL | Binding affinity against retinoic Acid alpha receptors co-transfected into CV-1 cells | B | 7.52 | pEC50 | 30 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Agonist activity for retinoic acid receptor RAR alpha in transcriptional activation assay | F | 7.52 | pEC50 | 30 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| ChEMBL | Transcriptional activation of retinoic acid receptor RAR alpha | B | 7.68 | pEC50 | 21 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 523-527 |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR alpha | B | 7.68 | pEC50 | 21 | nM | EC50 | J Med Chem (1995) 38: 2820-2829 [PMID:7636843] |
| ChEMBL | Transcriptional activation for RAR alpha receptor | B | 7.68 | pEC50 | 21 | nM | EC50 | Bioorg Med Chem Lett (1994) 4: 1447-1452 |
| ChEMBL | Agonist activity at human RARalpha expressed in HEK293 cells by luciferase reporter gene assay | B | 9.74 | pEC50 | 0.18 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
| Retinoic acid receptor-β/Retinoic acid receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2008] [GtoPdb: 591] [UniProtKB: P10826] | ||||||||
| ChEMBL | Binding affinity for Retinoic acid receptor beta | B | 8.3 | pKd | 5 | nM | Kd | Bioorg Med Chem Lett (1997) 7: 2373-2378 |
| ChEMBL | Binding affinity to retinoic acid receptor beta using [3H]CD 367 as radioligand | B | 8.3 | pKi | 5 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| ChEMBL | Binding affinity towards cRAR-beta-2 receptor by displacing 0.82 nM 3[H]all-trans-RA | B | 9.3 | pKi | 0.5 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2313-2318 |
| ChEMBL | Binding affinity towards cRAR-beta-2 receptor by displacing 1.1 nM 3[H]-9-cis-RA | B | 9.3 | pKi | 0.5 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2313-2318 |
| GtoPdb | - | - | 8 | pIC50 | - | - | - |
Mol Cell Biol (1994) 14: 287-98 [PMID:8264595]; J Mol Biol (2000) 302: 155-70 [PMID:10964567]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761]; Curr Pharm Des (2000) 6: 25-58 [PMID:10637371] |
| ChEMBL | Binding affinity against retinoic Acid beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Effective concentration against Retinoic acid receptor beta | B | 8.22 | pEC50 | 6 | nM | EC50 | J Med Chem (1993) 36: 2605-2613 [PMID:8410972] |
| ChEMBL | Transcriptional activation of retinoic acid receptor RAR beta | B | 8.4 | pEC50 | 4 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 523-527 |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR beta | B | 8.4 | pEC50 | 4 | nM | EC50 | J Med Chem (1995) 38: 2820-2829 [PMID:7636843] |
| ChEMBL | Transcriptional activation for RAR beta receptor | B | 8.4 | pEC50 | 4 | nM | EC50 | Bioorg Med Chem Lett (1994) 4: 1447-1452 |
| ChEMBL | Transactivation potency for Retinoic acid receptor beta | B | 8.52 | pEC50 | 3 | nM | EC50 | Bioorg Med Chem Lett (1997) 7: 2373-2378 |
| ChEMBL | Binding affinity against retinoic Acid beta receptors co-transfected into CV-1 cells | B | 8.52 | pEC50 | 3 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Agonist activity for retinoic acid receptor RAR beta in transcriptional activation assay | F | 8.52 | pEC50 | 3 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| Retinoic acid receptor-γ/Retinoic acid receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2003] [GtoPdb: 592] [UniProtKB: P13631] | ||||||||
| ChEMBL | Binding affinity for Retinoic acid receptor gamma | B | 7.59 | pKd | 26 | nM | Kd | Bioorg Med Chem Lett (1997) 7: 2373-2378 |
| ChEMBL | Dissociation constant for Retinoic acid receptor gamma | B | 7.59 | pKd | 26 | nM | Kd | J Med Chem (2005) 48: 6212-6219 [PMID:16190748] |
| ChEMBL | Binding affinity to retinoic acid receptor (RAR) gamma using [3H]CD 367 as radioligand | B | 8.3 | pKi | 5 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| ChEMBL | Binding affinity against retinoic Acid gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 7.59 | pIC50 | 26 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| GtoPdb | - | - | 7.82 | pIC50 | - | - | - |
Mol Cell Biol (1994) 14: 287-98 [PMID:8264595]; J Mol Biol (2000) 302: 155-70 [PMID:10964567] |
| ChEMBL | Effective concentration against RAR-gamma receptor | B | 7.62 | pEC50 | 24 | nM | EC50 | J Med Chem (1993) 36: 2605-2613 [PMID:8410972] |
| ChEMBL | Transcriptional activation of retinoic acid receptor RAR gamma | B | 8.62 | pEC50 | 2.4 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 523-527 |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR gamma | B | 8.62 | pEC50 | 2.4 | nM | EC50 | J Med Chem (1995) 38: 2820-2829 [PMID:7636843] |
| ChEMBL | Transcriptional activation for RAR gamma receptor | B | 8.62 | pEC50 | 2.4 | nM | EC50 | Bioorg Med Chem Lett (1994) 4: 1447-1452 |
| ChEMBL | Transactivation potency for Retinoic acid receptor gamma | B | 8.7 | pEC50 | 2 | nM | EC50 | Bioorg Med Chem Lett (1997) 7: 2373-2378 |
| ChEMBL | Binding affinity against retinoic Acid gamma receptors co-transfected into CV-1 cells | B | 8.7 | pEC50 | 2 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Agonist activity for retinoic acid receptor RAR gamma in transcriptional activation assay | F | 8.7 | pEC50 | 2 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| Retinoid X receptor-α/Retinoic acid receptor RXR-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793] | ||||||||
| ChEMBL | Binding affinity against retinoic Acid X alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Transcriptional activation of retinoid X receptor RXR alpha; not active | B | 5 | pEC50 | 10000 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 523-527 |
| ChEMBL | Binding affinity against retinoic Acid X alpha receptors co-transfected into CV-1 cells | B | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| Retinoid X receptor-β/Retinoic acid receptor RXR-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1870] [GtoPdb: 611] [UniProtKB: P28702] | ||||||||
| ChEMBL | Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Binding affinity against retinoic Acid X beta receptors co-transfected into CV-1 cells | B | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| Retinoid X receptor-γ/Retinoic acid receptor RXR-gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2004] [GtoPdb: 612] [UniProtKB: P48443] | ||||||||
| ChEMBL | Binding affinity against retinoic Acid X gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Binding affinity against retinoic Acid X gamma receptors co-transfected into CV-1 cells | B | 5 | pEC50 | >10000 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
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]
