adapalene [Ligand Id: 5429] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1265 (Adapalene, CD 271, CD-271, Differin) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Aspartate aminotransferase, cytoplasmic in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189139] [UniProtKB: P17174] | ||||||||
| ChEMBL | Inhibition of C-terminal His6-tagged human recombinant GOT1 expressed in Escherichia coli BL21 (DE3) cells using aspartic acid and alpha-ketoglutaric acid as substrates incubated in presence of MDH1 and NADH | B | 4.66 | pIC50 | 21790 | nM | IC50 | Bioorg Med Chem Lett (2022) 73: 128883-128883 [PMID:35820623] |
| glycine receptor α1 subunit/Glycine receptor subunit alpha-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5845] [GtoPdb: 423] [UniProtKB: P23415] | ||||||||
| ChEMBL | Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-electrode voltage clamp assay | B | 5.89 | pEC50 | 1300 | nM | EC50 | J Med Chem (2015) 58: 2958-2966 [PMID:25790278] |
| GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis | B | 5.29 | pIC50 | 5100 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis | B | 5.68 | pIC50 | 2100 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] | ||||||||
| ChEMBL | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis | B | 5.64 | pIC50 | 2300 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
| Retinoic acid receptor-α/Retinoic acid receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276] | ||||||||
| ChEMBL | Binding affinity towards Retinoic acid receptor alpha | B | 5.96 | pKi | 1100 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2289-2294 |
| ChEMBL | Binding affinity to retinoic acid receptor alpha using [3H]CD 367 as radioligand | B | 5.96 | pKi | 1100 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| GtoPdb | Binding affinity to RARα using [3H]CD 367 as radioligand. | - | 5.96 | pKi | 1100 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| Retinoic acid receptor-β/Retinoic acid receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2008] [GtoPdb: 591] [UniProtKB: P10826] | ||||||||
| ChEMBL | Binding affinity towards Retinoic acid receptor beta | B | 7.47 | pKi | 34 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2289-2294 |
| ChEMBL | Binding affinity to retinoic acid receptor beta using [3H]CD 367 as radioligand | B | 7.47 | pKi | 34 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| GtoPdb | Binding affinity to RARβ using [3H]CD 367 as radioligand. | - | 7.47 | pKi | 34 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| ChEMBL | Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs by luciferase reporter gene assay | B | 8.7 | pEC50 | 2 | nM | EC50 | Bioorg Med Chem Lett (2018) 28: 1736-1741 [PMID:29706423] |
| Retinoic acid receptor-γ/Retinoic acid receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2003] [GtoPdb: 592] [UniProtKB: P13631] | ||||||||
| ChEMBL | Binding affinity towards Retinoic acid receptor gamma | B | 6.89 | pKi | 130 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 2289-2294 |
| ChEMBL | Binding affinity to retinoic acid receptor (RAR) gamma using [3H]CD 367 as radioligand | B | 6.89 | pKi | 130 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| GtoPdb | Binding affinity to RARγ using [3H]CD 367 as radioligand. | - | 6.89 | pKi | 130 | nM | Ki | J Med Chem (1995) 38: 4993-5006 [PMID:8544175] |
| ChEMBL | Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs by luciferase reporter gene assay | B | 8.51 | pEC50 | 3.1 | nM | EC50 | Bioorg Med Chem Lett (2018) 28: 1736-1741 [PMID:29706423] |
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]
