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 |
|---|---|---|---|---|---|---|---|---|
| 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 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]
