alitretinoin [Ligand Id: 2645] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL705 (9-cis retinoic acid, 9-cis-retinoic acid, AGN 192013, AGN-192013, AGN192013, Alitretinoin, Alitretinoina, Alitretinoine, ALRT-1057, ALRT1057, BAL-4079, LG-100057, LG100057, LGD-1057, LGD1057, NSC-659772, Panretin, Retinoic acid 9-cis-form, Toctino) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Cellular retinoic acid-binding protein I in Chicken (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4945] [UniProtKB: P40220] | ||||||||
| ChEMBL | Inhibition of [3H]ATRA binding to chick skin Cytoplasmic retinoic acid binding protein | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
| cellular retinoic acid binding protein 1/Cellular retinoic acid-binding protein I in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3208] [GtoPdb: 2529] [UniProtKB: P62965] | ||||||||
| ChEMBL | Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1 | B | 6.7 | pKd | >200 | nM | Kd | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
| cellular retinoic acid binding protein 2/Cellular retinoic acid-binding protein II in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4172] [GtoPdb: 2530] [UniProtKB: P22935] | ||||||||
| ChEMBL | Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2 | B | 6.7 | pKd | >200 | nM | Kd | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
| Liver X receptor-α/LXR-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133] | ||||||||
| ChEMBL | Partial agonist activity at recombinant human GAL4-DBD-fused LXRalpha-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo luciferase reporter gene assay | B | 5.96 | pEC50 | 1090 | nM | EC50 | Bioorg Med Chem Lett (2017) 27: 1193-1198 [PMID:28169169] |
| Liver X receptor-β/LXR-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4093] [GtoPdb: 601] [UniProtKB: P55055] | ||||||||
| ChEMBL | Partial agonist activity at recombinant human GAL4-DBD-fused LXRbeta-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo luciferase reporter gene assay | B | 5.76 | pEC50 | 1730 | nM | EC50 | Bioorg Med Chem Lett (2017) 27: 1193-1198 [PMID:28169169] |
| 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 | 4.85 | pEC50 | 14000 | nM | EC50 | J Med Chem (2014) 57: 5871-5892 [PMID:24502334] |
| Nerve Growth factor IB/Nuclear receptor subfamily 4 group A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293229] [GtoPdb: 629] [UniProtKB: P22736] | ||||||||
| ChEMBL | Binding affinity to Nur77 Y453A mutant expressed in human BGC823 cells | B | 6.09 | pKd | 810 | nM | Kd | Nat Chem Biol (2008) 4: 548-556 [PMID:18690216] |
| Retinoic acid receptor-α/Retinoic acid receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276] | ||||||||
| ChEMBL | Inhibition of [3H]RA binding to retinoic acid receptor RAR alpha | B | 7.03 | pKd | 93 | nM | Kd | Bioorg Med Chem Lett (1999) 9: 589-594 [PMID:10098670] |
| ChEMBL | Inhibition of [3H]ATRA binding to human Retinoic acid receptor RAR alpha | B | 7.03 | pKd | 93 | nM | Kd | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Inhibition of [3H]ATRA binding to baculovirus expressed retinoic acid receptor RAR-alpha | B | 7.05 | pKd | 90 | nM | Kd | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor | B | 7.96 | pKd | 11 | nM | Kd | Bioorg Med Chem Lett (1996) 6: 213-218 |
| GtoPdb | - | - | 9.5 | pKd | - | - | - |
J Med Chem (1988) 31: 2182-92 [PMID:3184125]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761] |
| ChEMBL | Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR alpha | B | 7.65 | pKi | 22.3 | nM | Ki | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Binding affinity against retinoic Acid alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 8.15 | pIC50 | 7 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alpha | F | 6.52 | pEC50 | 304 | nM | EC50 | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR alpha | B | 6.66 | pEC50 | 220 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor alpha using transactivation assay | B | 6.72 | pEC50 | 191 | nM | EC50 | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Binding affinity against retinoic Acid alpha receptors co-transfected into CV-1 cells | B | 6.72 | pEC50 | 191 | 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 | 6.72 | pEC50 | 191 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR alpha | B | 6.72 | pEC50 | 191 | nM | EC50 | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Transcriptional activation for RAR alpha receptor | B | 6.99 | pEC50 | 102 | nM | EC50 | Bioorg Med Chem Lett (1994) 4: 1447-1452 |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR alpha | F | 6.99 | pEC50 | 102 | nM | EC50 | J Med Chem (1999) 42: 4961-4969 [PMID:10585206] |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR alpha | B | 6.99 | pEC50 | 102 | nM | EC50 | J Med Chem (1995) 38: 2820-2829 [PMID:7636843] |
| ChEMBL | Effective concentration against RAR-alpha receptor | B | 7.35 | pEC50 | 45 | nM | EC50 | J Med Chem (1993) 36: 2605-2613 [PMID:8410972] |
| ChEMBL | Relative activity against Retinoic acid receptor RAR alpha compared to ATRA | B | 7.64 | pEC50 | 23 | nM | EC50 | J Med Chem (1995) 38: 3368-3383 [PMID:7650690] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR alpha | F | 7.68 | pEC50 | 21 | nM | EC50 | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Agonist activity at human RAR-alpha expressed in CHO-K1 cells by PathHunter assay | B | 9 | pEC50 | 1 | nM | EC50 | J Med Chem (2022) 65: 9974-10000 [PMID:35797110] |
| Retinoic acid receptor-α/Retinoic acid receptor alpha in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2792] [GtoPdb: 590] [UniProtKB: P11416] | ||||||||
| ChEMBL | Dissociation constant for binding to Retinoic acid receptor alpha | B | 8.15 | pKd | 7 | nM | Kd | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Inhibition of [3H]ATRA binding to mouse Retinoic acid receptor RAR alpha | B | 7.51 | pIC50 | 31 | nM | IC50 | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
| Retinoic acid receptor-β/Retinoic acid receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2008] [GtoPdb: 591] [UniProtKB: P10826] | ||||||||
| ChEMBL | Inhibition of [3H]ATRA binding to baculovirus expressed retinoic acid receptor RAR-beta | B | 7 | pKd | 100 | nM | Kd | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Inhibition of [3H]RA binding to retinoic acid receptor RAR beta | B | 7.01 | pKd | 97 | nM | Kd | Bioorg Med Chem Lett (1999) 9: 589-594 [PMID:10098670] |
| ChEMBL | Inhibition of [3H]-ATRA binding to human Retinoic acid receptor RAR beta | B | 7.01 | pKd | 97 | nM | Kd | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor | B | 8.15 | pKd | 7 | nM | Kd | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR beta | B | 7.96 | pKi | 10.9 | nM | Ki | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Binding affinity towards cRAR-beta-2 receptor by displacing 0.82 nM 3[H]all-trans-RA | B | 9.15 | pKi | 0.7 | 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 | - | - | 9.7 | pKi | - | - | - |
J Mol Biol (2000) 302: 155-70 [PMID:10964567]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761] |
| ChEMBL | Binding affinity against retinoic Acid beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 8.15 | pIC50 | 7 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta | F | 7.28 | pEC50 | 52 | nM | EC50 | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR beta | B | 7.3 | pEC50 | 50 | nM | EC50 | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor beta using transactivation assay | B | 7.3 | pEC50 | 50 | nM | EC50 | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Binding affinity against retinoic Acid beta receptors co-transfected into CV-1 cells | B | 7.3 | pEC50 | 50 | 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 | 7.3 | pEC50 | 50 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| ChEMBL | Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR beta | B | 7.54 | pEC50 | 29 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Effective concentration against Retinoic acid receptor beta | B | 7.66 | pEC50 | 22 | nM | EC50 | J Med Chem (1993) 36: 2605-2613 [PMID:8410972] |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR beta | F | 8.48 | pEC50 | 3.3 | nM | EC50 | J Med Chem (1999) 42: 4961-4969 [PMID:10585206] |
| ChEMBL | Transcriptional activation for RAR beta receptor | B | 8.48 | pEC50 | 3.3 | nM | EC50 | Bioorg Med Chem Lett (1994) 4: 1447-1452 |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR beta | B | 8.48 | pEC50 | 3.3 | nM | EC50 | J Med Chem (1995) 38: 2820-2829 [PMID:7636843] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR beta | F | 8.52 | pEC50 | 3 | nM | EC50 | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Agonist activity at human RAR-beta expressed in CHO-K1 cells by PathHunter assay | B | 9.1 | pEC50 | 0.8 | nM | EC50 | J Med Chem (2022) 65: 9974-10000 [PMID:35797110] |
| Retinoic acid receptor-β/Retinoic acid receptor beta in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3266] [GtoPdb: 591] [UniProtKB: P22605] | ||||||||
| ChEMBL | Dissociation constant for binding to Retinoic acid receptor beta | B | 8.15 | pKd | 7 | nM | Kd | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| Retinoic acid receptor-γ/Retinoic acid receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2003] [GtoPdb: 592] [UniProtKB: P13631] | ||||||||
| ChEMBL | Inhibition of [3H]ATRA binding to baculovirus expressed retinoic acid receptor RAR-gamma | B | 6.82 | pKd | 150 | nM | Kd | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Inhibition of [3H]RA binding to retinoic acid receptor RAR gamma | B | 6.83 | pKd | 148 | nM | Kd | Bioorg Med Chem Lett (1999) 9: 589-594 [PMID:10098670] |
| ChEMBL | Inhibition of [3H]ATRA binding to human Retinoic acid receptor RAR gamma | B | 6.83 | pKd | 148 | nM | Kd | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor | B | 7.66 | pKd | 22 | nM | Kd | Bioorg Med Chem Lett (1996) 6: 213-218 |
| GtoPdb | - | - | 9 | pKd | - | - | - |
J Mol Biol (2000) 302: 155-70 [PMID:10964567]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761] |
| ChEMBL | Dissociation constant for Retinoic acid receptor gamma | B | 9.1 | pKd | 0.8 | nM | Kd | J Med Chem (2005) 48: 6212-6219 [PMID:16190748] |
| ChEMBL | Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR gamma | B | 7.7 | pKi | 20 | nM | Ki | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Agonistic activity towards retinoic acid receptor-gamma | F | 9 | pKi | 1 | nM | Ki | J Med Chem (1997) 40: 4222-4234 [PMID:9435893] |
| ChEMBL | Binding affinity against retinoic Acid gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 7.77 | pIC50 | 17 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gamma | F | 7.13 | pEC50 | 74 | nM | EC50 | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR gamma | B | 7.3 | pEC50 | 50 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Agonist activity for retinoic acid receptor RAR gamma in transcriptional activation assay | F | 7.35 | pEC50 | 45 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| ChEMBL | Binding affinity against retinoic Acid gamma receptors co-transfected into CV-1 cells | B | 7.35 | pEC50 | 45 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor gamma using transactivation assay | B | 7.35 | pEC50 | 45 | nM | EC50 | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR gamma | B | 7.35 | pEC50 | 45 | nM | EC50 | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Effective concentration against RAR-gamma receptor | B | 7.92 | pEC50 | 12 | nM | EC50 | J Med Chem (1993) 36: 2605-2613 [PMID:8410972] |
| ChEMBL | Transcriptional activation for RAR gamma receptor | B | 8.22 | pEC50 | 6 | nM | EC50 | Bioorg Med Chem Lett (1994) 4: 1447-1452 |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR gamma | F | 8.22 | pEC50 | 6 | nM | EC50 | J Med Chem (1999) 42: 4961-4969 [PMID:10585206] |
| ChEMBL | Transcriptional activation of Retinoic acid receptor RAR gamma | B | 8.22 | pEC50 | 6 | nM | EC50 | J Med Chem (1995) 38: 2820-2829 [PMID:7636843] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gamma | F | 8.4 | pEC50 | 4 | nM | EC50 | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| Retinoic acid receptor-γ/Retinoic acid receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4177] [GtoPdb: 592] [UniProtKB: P18911] | ||||||||
| ChEMBL | Dissociation constant for binding to Retinoic acid receptor gamma | B | 7.77 | pKd | 17 | nM | Kd | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| Retinoid X receptor-α/Retinoid X receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793] | ||||||||
| ChEMBL | Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay | B | 5.74 | pKd | 1810 | nM | Kd | J Med Chem (2015) 58: 7763-7774 [PMID:26331194] |
| ChEMBL | Agonist activity at human RXR-alpha-ligand binding domain homodimers assessed as coactivator recruitment by measuring GRIP1 binding to receptor by isothermal titration calorimetry | B | 5.81 | pKd | 1560 | nM | Kd | J Med Chem (2014) 57: 5370-5380 [PMID:24801499] |
| ChEMBL | Binding affinity to RXRalpha | B | 6.62 | pKd | 240 | nM | Kd | Nat Chem Biol (2008) 4: 548-556 [PMID:18690216] |
| ChEMBL | Dissociation constant for binding to Retinoic acid receptor RXR-alpha | B | 7.3 | pKd | 50 | nM | Kd | Bioorg Med Chem Lett (2002) 12: 2607-2609 [PMID:12182871] |
| ChEMBL | Binding affinity to human RXRalpha LBD (T225 to T462 residues) by fluorescence quenching assay | B | 7.8 | pKd | 16 | nM | Kd | J Med Chem (2022) 65: 14409-14423 [PMID:36318154] |
| ChEMBL | Binding affinity to human RXRalpha ligand binding domain by fluorescence assay | B | 7.85 | pKd | 14 | nM | Kd | Bioorg Med Chem (2014) 22: 178-185 [PMID:24359708] |
| ChEMBL | Binding affinity to human RXR-alpha-ligand binding domain homodimers by fluorescence quenching method | B | 7.85 | pKd | 14 | nM | Kd | J Med Chem (2014) 57: 5370-5380 [PMID:24801499] |
| ChEMBL | Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-alpha | B | 7.89 | pKd | 13 | nM | Kd | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor | B | 8.05 | pKd | 9 | nM | Kd | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma | B | 8.1 | pKd | 8 | nM | Kd | Bioorg Med Chem Lett (1999) 9: 589-594 [PMID:10098670] |
| ChEMBL | Inhibition of [3H]9-cis-RA binding to human Retinoid X receptor RXR alpha | B | 8.1 | pKd | 8 | nM | Kd | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Inhibition of binding to human Retinoic acid receptor RXR DEF domain | B | 8.52 | pKd | 3 | nM | Kd | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
| ChEMBL | Dissociation constant for Retinoid X receptor alpha | B | 8.82 | pKd | 1.5 | nM | Kd | J Med Chem (2005) 48: 6212-6219 [PMID:16190748] |
| ChEMBL | Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay | B | 6.23 | pKi | 583 | nM | Ki | J Med Chem (2019) 62: 8809-8818 [PMID:31483660] |
| ChEMBL | Displacement of 6-(Ethyl-{5-isobutoxy-4-isopropyl-2-[(10-oxo-2,3,5,6-tetrahydro-1H,4H,10H-11-oxa-3a-aza-benzo[de]anthracene-9-carbonyl)-amino]-phenyl}-amino)-nicotinic acid from human RXRalpha-LBD by by fluorescence binding assay | B | 6.32 | pKi | 478 | nM | Ki | J Med Chem (2021) 64: 861-870 [PMID:33378197] |
| ChEMBL | Agonistic activity towards retinoid X receptor-alpha | F | 7.92 | pKi | 12 | nM | Ki | J Med Chem (1997) 40: 4222-4234 [PMID:9435893] |
| ChEMBL | Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR alpha | B | 8.08 | pKi | 8.4 | nM | Ki | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Inhibition of [3H]targretin binding to Retinoid X receptor RXR alpha | B | 8.1 | pKi | 8 | nM | Ki | J Med Chem (1996) 39: 3229-3234 [PMID:8765503] |
| ChEMBL | Binding affinity against retinoic Acid X alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 7.49 | pIC50 | 32 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Inhibition of [3H]9-cis-retinoic acid binding to human retinoid X receptor alpha ligand-binding domain expressed in Escherichia coli | B | 7.54 | pIC50 | 29 | nM | IC50 | J Med Chem (2004) 47: 4360-4372 [PMID:15317450] |
| GtoPdb | - | - | 8.2 | pIC50 | - | - | - |
Proc Natl Acad Sci USA (1993) 90: 30-4 [PMID:8380496]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761]; Cell (1992) 68: 397-406 [PMID:1310260]; Nature (1996) 383: 450-3 [PMID:8837780]; Nature (1992) 355: 359-61 [PMID:1309942]; Genes Dev (1992) 6: 329-44 [PMID:1312497] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR alpha | F | 6.5 | pEC50 | 316 | nM | EC50 | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor alpha using transactivation assay | B | 6.6 | pEC50 | 250 | nM | EC50 | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Transcriptional activation in CV-1 cells expressing human Retinoid X receptor RXR-alpha | B | 6.71 | pEC50 | 195 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Agonist activity at human GAL4-fused RXRalpha LBD (T225 to T462 residues) expressed in HEK293 cells incubated for 24 hrs by Dual-Glo luciferase assay | B | 6.77 | pEC50 | 170 | nM | EC50 | J Med Chem (2022) 65: 14409-14423 [PMID:36318154] |
| ChEMBL | Agonist activity at Gal4-fused human RXR-alpha expressed in HEK293 cells assessed as receptor-mediated transcriptional activity treated 24 hrs after transfection measured 48 hrs post-transfection by dual luciferase reporter assay | B | 6.92 | pEC50 | 120 | nM | EC50 | J Med Chem (2014) 57: 5370-5380 [PMID:24801499] |
| ChEMBL | Transcriptional activation of Retinoid X receptor RXR alpha | B | 7 | pEC50 | 100 | nM | EC50 | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Binding affinity against retinoic Acid X alpha receptors co-transfected into CV-1 cells | B | 7 | pEC50 | 100 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Agonist activity for retinoic acid receptor RXR alpha in transcriptional activation assay | F | 7 | pEC50 | 100 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| ChEMBL | Agonist activity at RXRalpha-LBD (unknown origin) assessed as transactivation by measuring increase in fluorescein-labelled coactivator PGC-1alpha peptide recruitment by Lanthascreen TR-FRET | B | 7.59 | pEC50 | 26 | nM | EC50 | J Nat Prod (2022) 85: 2804-2816 [PMID:36475432] |
| ChEMBL | Transcriptional activation for RXR alpha receptor | B | 7.89 | pEC50 | 13 | nM | EC50 | Bioorg Med Chem Lett (1994) 4: 1447-1452 |
| ChEMBL | Transcriptional activation of Retinoid X receptor RXR alpha | B | 7.89 | pEC50 | 13 | nM | EC50 | J Med Chem (1995) 38: 2820-2829 [PMID:7636843] |
| ChEMBL | Effective concentration against RXR-alpha receptor | B | 7.89 | pEC50 | 13 | nM | EC50 | J Med Chem (1993) 36: 2605-2613 [PMID:8410972] |
| ChEMBL | Agonist activity at human RXRalpha expressed in HEK293 cells by luciferase reporter gene assay | B | 8 | pEC50 | 10 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
| ChEMBL | Effective concentration against Retinoic acid receptor RXR-alpha | B | 8.22 | pEC50 | 6 | nM | EC50 | J Med Chem (1995) 38: 3368-3383 [PMID:7650690] |
| ChEMBL | Agonist activity at human RXR-alpha expressed in U2OS cells by PathHunter assay | B | 8.22 | pEC50 | 6 | nM | EC50 | J Med Chem (2022) 65: 9974-10000 [PMID:35797110] |
| ChEMBL | Agonist activity at human RXR-alpha | B | 8.4 | pEC50 | 4 | nM | EC50 | J Med Chem (2016) 59: 9201-9214 [PMID:27652492] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha | F | 8.82 | pEC50 | 1.5 | nM | EC50 | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| Retinoid X receptor-α/Retinoid X receptor alpha in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3084] [GtoPdb: 610] [UniProtKB: P28700] | ||||||||
| ChEMBL | Dissociation constant for binding to Retinoid X receptor alpha | B | 7.49 | pKd | 32 | nM | Kd | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RXR alpha | B | 7.09 | pIC50 | 82 | nM | IC50 | J Med Chem (1996) 39: 3625-3635 [PMID:8809153] |
| ChEMBL | Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after 6 hrs by Dual-light chemiluminescent assay | B | 6.7 | pEC50 | 200 | nM | EC50 | Eur J Med Chem (2009) 44: 2434-2446 [PMID:19216008] |
| Retinoid X receptor-α/Retinoid X receptor alpha in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4431] [GtoPdb: 610] [UniProtKB: Q05343] | ||||||||
| ChEMBL | Agonist activity at RXRalpha in rat RK3E cells assessed as transcriptional activation by luciferase reporter gene assay | B | 6.92 | pEC50 | 120 | nM | EC50 | Bioorg Med Chem (2014) 22: 178-185 [PMID:24359708] |
| ChEMBL | Agonist activity at RXR-alpha in rat R3KE cells infected with oncogene KLF4-ER assessed as inhibition of KLF4-mediated oncogenic transformation | B | 6.96 | pEC50 | 110 | nM | EC50 | J Med Chem (2014) 57: 5370-5380 [PMID:24801499] |
| Retinoid X receptor-β/Retinoid X receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1870] [GtoPdb: 611] [UniProtKB: P28702] | ||||||||
| ChEMBL | Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-beta | B | 7.46 | pKd | 35 | nM | Kd | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta | B | 7.82 | pKd | 15 | nM | Kd | Bioorg Med Chem Lett (1999) 9: 589-594 [PMID:10098670] |
| ChEMBL | Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]9-cis-RA as a radioligand in baculovirus expressed receptor | B | 7.96 | pKd | 11 | nM | Kd | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta | B | 8.05 | pKi | 9 | nM | Ki | J Med Chem (1996) 39: 3229-3234 [PMID:8765503] |
| ChEMBL | Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR beta | B | 8.13 | pKi | 7.4 | nM | Ki | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Agonistic activity towards retinoid X receptor-beta | F | 8.42 | pKi | 3.8 | nM | Ki | J Med Chem (1997) 40: 4222-4234 [PMID:9435893] |
| ChEMBL | Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 7.92 | pIC50 | 12 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Transcriptional activation of Retinoid X receptor RXR beta | B | 6.7 | pEC50 | 200 | nM | EC50 | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Binding affinity against retinoic Acid X beta receptors co-transfected into CV-1 cells | B | 6.7 | pEC50 | 200 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay | F | 6.7 | pEC50 | 200 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR beta | F | 6.7 | pEC50 | 200 | nM | EC50 | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor beta using transactivation assay | B | 6.7 | pEC50 | 200 | nM | EC50 | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta | F | 7.54 | pEC50 | 29 | nM | EC50 | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Agonist activity at human RXR-beta expressed in U2OS cells by PathHunter assay | B | 8.22 | pEC50 | 6 | nM | EC50 | J Med Chem (2022) 65: 9974-10000 [PMID:35797110] |
| ChEMBL | Effective concentrations against Retinoic acid receptor RXR-beta | B | 8.59 | pEC50 | 2.6 | nM | EC50 | J Med Chem (1995) 38: 3368-3383 [PMID:7650690] |
| Retinoid X receptor-β/Retinoid X receptor beta in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4047] [GtoPdb: 611] [UniProtKB: P28704] | ||||||||
| ChEMBL | Inhibition of [3H]9-cis-RA binding to mouse Retinoid X receptor RXR beta | B | 7.82 | pKd | 15 | nM | Kd | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Dissociation constant for binding to Retinoid X receptor beta | B | 7.92 | pKd | 12 | nM | Kd | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing mouse Retinoid X receptor RXR beta | B | 6.89 | pEC50 | 128 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| Retinoid X receptor-γ/Retinoid X receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2004] [GtoPdb: 612] [UniProtKB: P48443] | ||||||||
| ChEMBL | Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-gamma | B | 7.52 | pKd | 30 | nM | Kd | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]9-cis-RA as a radioligand in baculovirus expressed receptor | B | 7.8 | pKd | 16 | nM | Kd | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma | B | 7.85 | pKd | 14 | nM | Kd | Bioorg Med Chem Lett (1999) 9: 589-594 [PMID:10098670] |
| ChEMBL | Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR gamma | B | 7.85 | pKd | 14 | nM | Kd | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
| ChEMBL | Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RA | B | 7.57 | pKi | 27 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2313-2318 |
| ChEMBL | Inhibition of [3H]targretin binding to Retinoid X receptor RXR gamma | B | 7.85 | pKi | 14 | nM | Ki | J Med Chem (1996) 39: 3229-3234 [PMID:8765503] |
| ChEMBL | Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR gamma | B | 7.89 | pKi | 13 | nM | Ki | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Agonistic activity towards retinoid X receptor-gamma | F | 7.96 | pKi | 11 | nM | Ki | J Med Chem (1997) 40: 4222-4234 [PMID:9435893] |
| GtoPdb | - | - | 8 | pIC50 | - | - | - |
Proc Natl Acad Sci USA (1993) 90: 30-4 [PMID:8380496]; Mol Cell Biol (1995) 15: 3540-51 [PMID:7791761]; Cell (1992) 68: 397-406 [PMID:1310260]; Nature (1996) 383: 450-3 [PMID:8837780]; Nature (1992) 355: 359-61 [PMID:1309942]; Genes Dev (1992) 6: 329-44 [PMID:1312497] |
| ChEMBL | Binding affinity against retinoic Acid X gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR gamma | F | 6.66 | pEC50 | 219 | nM | EC50 | J Med Chem (1996) 39: 2659-2663 [PMID:8709094] |
| ChEMBL | Binding affinity against retinoic Acid X gamma receptors co-transfected into CV-1 cells | B | 6.85 | pEC50 | 140 | nM | EC50 | J Med Chem (1994) 37: 408-414 [PMID:8308867] |
| ChEMBL | Agonist activity for retinoic acid receptor RXR gamma in transcriptional activation assay | F | 6.85 | pEC50 | 140 | nM | EC50 | Bioorg Med Chem Lett (1995) 5: 2729-2734 |
| ChEMBL | Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor gamma using transactivation assay | B | 6.85 | pEC50 | 140 | nM | EC50 | Bioorg Med Chem Lett (1996) 6: 213-218 |
| ChEMBL | Transcriptional activation of Retinoid X receptor RXR gamma | B | 6.85 | pEC50 | 140 | nM | EC50 | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma | F | 8.35 | pEC50 | 4.5 | nM | EC50 | J Med Chem (2001) 44: 2298-2303 [PMID:11428923] |
| ChEMBL | Effective concentrations against Retinoic acid receptor RXR-gamma | B | 8.37 | pEC50 | 4.3 | nM | EC50 | J Med Chem (1995) 38: 3368-3383 [PMID:7650690] |
| Retinoid X receptor-γ/Retinoid X receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4402] [GtoPdb: 612] [UniProtKB: P28705] | ||||||||
| ChEMBL | Dissociation constant for binding to Retinoid X receptor gamma | B | 8.4 | pKd | 4 | nM | Kd | J Med Chem (1996) 39: 3556-3563 [PMID:8784454] |
| ChEMBL | Transcriptional activation in CV-1 cells expressing mouse Retinoid X receptor RXR gamma | B | 6.91 | pEC50 | 124 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 261-264 [PMID:12482435] |
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]
